5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide

C16H22N4O2S2 — CID 122353235

IUPAC5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)s1
InChIInChI=1S/C16H22N4O2S2/c1-2-14-6-7-15(23-14)24(21,22)18-12-13-8-9-17-16(19-13)20-10-4-3-5-11-20/h6-9,18H,2-5,10-12H2,1H3
InChIKeyZWBFVSBTTIDWGC-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.57
Rot. Bonds6

About 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 122353235) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID122353235
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)s1
InChIInChI=1S/C16H22N4O2S2/c1-2-14-6-7-15(23-14)24(21,22)18-12-13-8-9-17-16(19-13)20-10-4-3-5-11-20/h6-9,18H,2-5,10-12H2,1H3
InChIKeyZWBFVSBTTIDWGC-UHFFFAOYSA-N
XLogP2.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353531
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
2,4-diethoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353321
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
5-chloro-2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353239
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 91967200

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide (CID 122353235) is 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZWBFVSBTTIDWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-2-14-6-7-15(23-14)24(21,22)18-12-13-8-9-17-16(19-13)20-10-4-3-5-11-20/h6-9,18H,2-5,10-12H2,1H3.
What are the key properties of 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122353235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).