2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide

C14H18N2O2S3 — CID 106093158

IUPAC2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2c(CN)sc3ccccc23)CC1
InChIInChI=1S/C14H18N2O2S3/c1-19-14(6-7-14)9-16-21(17,18)13-10-4-2-3-5-11(10)20-12(13)8-15/h2-5,16H,6-9,15H2,1H3
InChIKeyRNVLHIGKMLNFAQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.53
Rot. Bonds6

About 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide

2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide (PubChem CID 106093158) has the molecular formula C14H18N2O2S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide
PubChem CID106093158
Molecular FormulaC14H18N2O2S3
Molecular Weight342.51 g/mol
Exact Mass342.05
IUPAC Name2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2c(CN)sc3ccccc23)CC1
InChIInChI=1S/C14H18N2O2S3/c1-19-14(6-7-14)9-16-21(17,18)13-10-4-2-3-5-11(10)20-12(13)8-15/h2-5,16H,6-9,15H2,1H3
InChIKeyRNVLHIGKMLNFAQ-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
CID 106032317
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)-1-benzothiophene-3-sulfonamide
CID 106077441
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
CID 106065687
[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1-benzothiophen-2-yl]methanamine
CID 79180012
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
N-(2-cyclopropylpropan-2-yl)-2-(hydroxymethyl)-1-benzothiophene-3-sulfonamide
CID 106001128
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522
5-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-propan-2-ylpyrrole-3-sulfonamide
CID 106093306

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide (CID 106093158) is 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide is CSC1(CNS(=O)(=O)c2c(CN)sc3ccccc23)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide?
The InChIKey is RNVLHIGKMLNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S3/c1-19-14(6-7-14)9-16-21(17,18)13-10-4-2-3-5-11(10)20-12(13)8-15/h2-5,16H,6-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide?
2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 106093158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).