5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide

C10H15BrN2O2S2 — CID 104982659

IUPAC5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCCNC2)sc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-8-3-2-4-12-6-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyXKECKSXVPWDPBQ-QMMMGPOBSA-N
MW339.28 g/mol
LogP1.85
Rot. Bonds3

About 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide (PubChem CID 104982659) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
PubChem CID104982659
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCCNC2)sc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-8-3-2-4-12-6-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyXKECKSXVPWDPBQ-QMMMGPOBSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 84597452
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
2-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-sulfonamide
CID 103415375
2-methyl-N-piperidin-3-yl-1,3-thiazole-5-sulfonamide
CID 103951401
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide (CID 104982659) is 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N[C@H]2CCCNC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is XKECKSXVPWDPBQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-8-3-2-4-12-6-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 339.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 104982659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).