2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide

C15H20N2O2S2 — CID 106065687

IUPAC2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1c(CN)sc2ccccc12
InChIInChI=1S/C15H20N2O2S2/c1-10(8-11-6-7-11)17-21(18,19)15-12-4-2-3-5-13(12)20-14(15)9-16/h2-5,10-11,17H,6-9,16H2,1H3
InChIKeyRBYHSTULHAYSDU-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.83
Rot. Bonds6

About 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide

2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide (PubChem CID 106065687) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
PubChem CID106065687
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1c(CN)sc2ccccc12
InChIInChI=1S/C15H20N2O2S2/c1-10(8-11-6-7-11)17-21(18,19)15-12-4-2-3-5-13(12)20-14(15)9-16/h2-5,10-11,17H,6-9,16H2,1H3
InChIKeyRBYHSTULHAYSDU-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj 26990990
CID 11687376
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N-[4-(aminosulfonyl)benzyl]-2,5-dimethylthiophene-3-sulfonamide
CID 3238507
2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 711867
N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 3802406
N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
CID 2826167
(Phenylethyl)(2-thienylsulfonyl)amine
CID 2880499
rac-N-[1-(1-benzothien-3-yl)ethyl]sulfamide
CID 11637451
N-(1-benzothiophen-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 141518729
N-(1-benzothiophen-2-ylmethyl)-4-fluorobenzenesulfonamide
CID 141518730
N-(1-benzothiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 141518731
N-(1-benzothiophen-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 141518735

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide (CID 106065687) is 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide is CC(CC1CC1)NS(=O)(=O)c1c(CN)sc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide?
The InChIKey is RBYHSTULHAYSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10(8-11-6-7-11)17-21(18,19)15-12-4-2-3-5-13(12)20-14(15)9-16/h2-5,10-11,17H,6-9,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide?
2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 106065687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).