N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C15H21N5O2S2 — CID 133397420

IUPACN-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCNc1cc(N2CCCCC2)ncn1)c1cccs1
InChIInChI=1S/C15H21N5O2S2/c21-24(22,15-5-4-10-23-15)19-7-6-16-13-11-14(18-12-17-13)20-8-2-1-3-9-20/h4-5,10-12,19H,1-3,6-9H2,(H,16,17,18)
InChIKeyAGCRHKSKIGGXHE-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.92
Rot. Bonds7

About N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133397420) has the molecular formula C15H21N5O2S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133397420
Molecular FormulaC15H21N5O2S2
Molecular Weight367.50 g/mol
Exact Mass367.11
IUPAC NameN-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCNc1cc(N2CCCCC2)ncn1)c1cccs1
InChIInChI=1S/C15H21N5O2S2/c21-24(22,15-5-4-10-23-15)19-7-6-16-13-11-14(18-12-17-13)20-8-2-1-3-9-20/h4-5,10-12,19H,1-3,6-9H2,(H,16,17,18)
InChIKeyAGCRHKSKIGGXHE-UHFFFAOYSA-N
XLogP1.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-1-sulfonamide
CID 122327764
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
4-cyano-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327763
1-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327738
1-(2-fluorophenyl)-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122327732
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
1-ethyl-3,5-dimethyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 122327740
N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122327735
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
4-methyl-3,5-dinitro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327789
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133397420) is N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCNc1cc(N2CCCCC2)ncn1)c1cccs1.
What is the InChIKey of N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is AGCRHKSKIGGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S2/c21-24(22,15-5-4-10-23-15)19-7-6-16-13-11-14(18-12-17-13)20-8-2-1-3-9-20/h4-5,10-12,19H,1-3,6-9H2,(H,16,17,18).
What are the key properties of N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 367.50 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133397420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).