2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide

C11H18N2O2S3 — CID 106073737

IUPAC2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccsc2CN)CCCS1
InChIInChI=1S/C11H18N2O2S3/c1-11(4-2-5-17-11)8-13-18(14,15)10-3-6-16-9(10)7-12/h3,6,13H,2,4-5,7-8,12H2,1H3
InChIKeyFWAQPQGCMGYSCP-UHFFFAOYSA-N
MW306.48 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106073737) has the molecular formula C11H18N2O2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID106073737
Molecular FormulaC11H18N2O2S3
Molecular Weight306.48 g/mol
Exact Mass306.05
IUPAC Name2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccsc2CN)CCCS1
InChIInChI=1S/C11H18N2O2S3/c1-11(4-2-5-17-11)8-13-18(14,15)10-3-6-16-9(10)7-12/h3,6,13H,2,4-5,7-8,12H2,1H3
InChIKeyFWAQPQGCMGYSCP-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-bromo-2-methyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073787
1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
CID 106073760
3-amino-N-[(2-methylthiolan-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993750
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 80743832
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
CID 80527113
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
3-[(2-methylthiolan-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597633
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
5-amino-3-bromo-2-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726436

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide (CID 106073737) is 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide is CC1(CNS(=O)(=O)c2ccsc2CN)CCCS1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is FWAQPQGCMGYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S3/c1-11(4-2-5-17-11)8-13-18(14,15)10-3-6-16-9(10)7-12/h3,6,13H,2,4-5,7-8,12H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 306.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).