3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C11H17BrN2O2S2 — CID 113400598

IUPAC3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2sccc2Br)CCNCC1
InChIInChI=1S/C11H17BrN2O2S2/c1-11(3-5-13-6-4-11)8-14-18(15,16)10-9(12)2-7-17-10/h2,7,13-14H,3-6,8H2,1H3
InChIKeyGQQCSEXJAWSAJL-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.18
Rot. Bonds4

About 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 113400598) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID113400598
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2sccc2Br)CCNCC1
InChIInChI=1S/C11H17BrN2O2S2/c1-11(3-5-13-6-4-11)8-14-18(15,16)10-9(12)2-7-17-10/h2,7,13-14H,3-6,8H2,1H3
InChIKeyGQQCSEXJAWSAJL-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
3-bromo-2-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720177
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
4-bromo-5-chloro-2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720356
1-(3-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
CID 119961497
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 113400598) is 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is CC1(CNS(=O)(=O)c2sccc2Br)CCNCC1.
What is the InChIKey of 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is GQQCSEXJAWSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-11(3-5-13-6-4-11)8-14-18(15,16)10-9(12)2-7-17-10/h2,7,13-14H,3-6,8H2,1H3.
What are the key properties of 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113400598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).