5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide

C20H23N5O2S3 — CID 89135743

IUPAC5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
SMILESC=C1CC(Nc2nccc(-c3ccc(-c4ccc(S(N)(=O)=O)s4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C20H23N5O2S3/c1-12-10-13(11-20(2,3)25-12)23-19-22-9-8-14(24-19)15-4-5-16(28-15)17-6-7-18(29-17)30(21,26)27/h4-9,13,25H,1,10-11H2,2-3H3,(H2,21,26,27)(H,22,23,24)
InChIKeyHMXYZFXQDREQGZ-UHFFFAOYSA-N
MW461.64 g/mol
LogP4.04
Rot. Bonds5

About 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide

5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide (PubChem CID 89135743) has the molecular formula C20H23N5O2S3 and a molecular weight of 461.64 g/mol. Its IUPAC name is 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
PubChem CID89135743
Molecular FormulaC20H23N5O2S3
Molecular Weight461.64 g/mol
Exact Mass461.10
IUPAC Name5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
SMILESC=C1CC(Nc2nccc(-c3ccc(-c4ccc(S(N)(=O)=O)s4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C20H23N5O2S3/c1-12-10-13(11-20(2,3)25-12)23-19-22-9-8-14(24-19)15-4-5-16(28-15)17-6-7-18(29-17)30(21,26)27/h4-9,13,25H,1,10-11H2,2-3H3,(H2,21,26,27)(H,22,23,24)
InChIKeyHMXYZFXQDREQGZ-UHFFFAOYSA-N
XLogP4.04
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 89135741
[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 89135780
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 89135693
3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 89135798
4-[5-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
4-(5-propoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11462979
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158
ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide (CID 89135743) is 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide is C=C1CC(Nc2nccc(-c3ccc(-c4ccc(S(N)(=O)=O)s4)s3)n2)CC(C)(C)N1.
What is the InChIKey of 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide?
The InChIKey is HMXYZFXQDREQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S3/c1-12-10-13(11-20(2,3)25-12)23-19-22-9-8-14(24-19)15-4-5-16(28-15)17-6-7-18(29-17)30(21,26)27/h4-9,13,25H,1,10-11H2,2-3H3,(H2,21,26,27)(H,22,23,24).
What are the key properties of 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide?
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide has a molecular weight of 461.64 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 89135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).