2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide

C13H20N2O2S3 — CID 106086348

IUPAC2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C13H20N2O2S3/c1-9-7-19-12(6-14-10-2-3-10)13(9)20(16,17)15-11-4-5-18-8-11/h7,10-11,14-15H,2-6,8H2,1H3
InChIKeyOABDGKFTHRCYBM-UHFFFAOYSA-N
MW332.52 g/mol
LogP2.09
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide (PubChem CID 106086348) has the molecular formula C13H20N2O2S3 and a molecular weight of 332.52 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
PubChem CID106086348
Molecular FormulaC13H20N2O2S3
Molecular Weight332.52 g/mol
Exact Mass332.07
IUPAC Name2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C13H20N2O2S3/c1-9-7-19-12(6-14-10-2-3-10)13(9)20(16,17)15-11-4-5-18-8-11/h7,10-11,14-15H,2-6,8H2,1H3
InChIKeyOABDGKFTHRCYBM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide
CID 106069710
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
CID 106069339

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide (CID 106086348) is 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is OABDGKFTHRCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S3/c1-9-7-19-12(6-14-10-2-3-10)13(9)20(16,17)15-11-4-5-18-8-11/h7,10-11,14-15H,2-6,8H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 332.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106086348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).