5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide

C13H20N2O2S3 — CID 106081562

IUPAC5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccc(CNC2CC2)s1
InChIInChI=1S/C13H20N2O2S3/c16-20(17,15-11-2-1-7-18-9-11)13-6-5-12(19-13)8-14-10-3-4-10/h5-6,10-11,14-15H,1-4,7-9H2
InChIKeyJRAJPGPYJALWDI-UHFFFAOYSA-N
MW332.52 g/mol
LogP2.17
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide (PubChem CID 106081562) has the molecular formula C13H20N2O2S3 and a molecular weight of 332.52 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
PubChem CID106081562
Molecular FormulaC13H20N2O2S3
Molecular Weight332.52 g/mol
Exact Mass332.07
IUPAC Name5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccc(CNC2CC2)s1
InChIInChI=1S/C13H20N2O2S3/c16-20(17,15-11-2-1-7-18-9-11)13-6-5-12(19-13)8-14-10-3-4-10/h5-6,10-11,14-15H,1-4,7-9H2
InChIKeyJRAJPGPYJALWDI-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081522
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
N-(thian-3-yl)benzenesulfonamide
CID 115675274
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide (CID 106081562) is 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCSC1)c1ccc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide?
The InChIKey is JRAJPGPYJALWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S3/c16-20(17,15-11-2-1-7-18-9-11)13-6-5-12(19-13)8-14-10-3-4-10/h5-6,10-11,14-15H,1-4,7-9H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide has a molecular weight of 332.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106081562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).