5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide

C11H17ClN2O3S2 — CID 44571804

IUPAC5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O3S2/c12-10-1-2-11(18-10)19(16,17)14-9(7-15)8-3-5-13-6-4-8/h1-2,8-9,13-15H,3-7H2/t9-/m1/s1
InChIKeyMQTKLULUXAJSGA-SECBINFHSA-N
MW324.86 g/mol
LogP1.04
Rot. Bonds5

About 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide

5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide (PubChem CID 44571804) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
PubChem CID44571804
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O3S2/c12-10-1-2-11(18-10)19(16,17)14-9(7-15)8-3-5-13-6-4-8/h1-2,8-9,13-15H,3-7H2/t9-/m1/s1
InChIKeyMQTKLULUXAJSGA-SECBINFHSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-sulfonamide
CID 63622140
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372821
5-chloro-N-[(1S)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372866
5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
CID 63869653
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide (CID 44571804) is 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)C1CCNCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide?
The InChIKey is MQTKLULUXAJSGA-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c12-10-1-2-11(18-10)19(16,17)14-9(7-15)8-3-5-13-6-4-8/h1-2,8-9,13-15H,3-7H2/t9-/m1/s1.
What are the key properties of 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide has a molecular weight of 324.86 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 44571804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).