4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C16H21N3O4S2 — CID 27261158

IUPAC4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cs2)no1
InChIInChI=1S/C16H21N3O4S2/c1-10-4-11(2)8-19(7-10)25(21,22)13-6-14(24-9-13)16(20)17-15-5-12(3)23-18-15/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,20)/t10-,11-/m0/s1
InChIKeyUGHGJNDRVDQJPX-QWRGUYRKSA-N
MW383.50 g/mol
LogP2.96
Rot. Bonds4

About 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 27261158) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID27261158
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cs2)no1
InChIInChI=1S/C16H21N3O4S2/c1-10-4-11(2)8-19(7-10)25(21,22)13-6-14(24-9-13)16(20)17-15-5-12(3)23-18-15/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,20)/t10-,11-/m0/s1
InChIKeyUGHGJNDRVDQJPX-QWRGUYRKSA-N
XLogP2.96
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
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CID 6503197
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CID 3144396
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CID 110865517
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N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
CID 170115629
4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134
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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 27261158) is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cs2)no1.
What is the InChIKey of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is UGHGJNDRVDQJPX-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-10-4-11(2)8-19(7-10)25(21,22)13-6-14(24-9-13)16(20)17-15-5-12(3)23-18-15/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,20)/t10-,11-/m0/s1.
What are the key properties of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 27261158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).