2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide

C15H18N2O2S2 — CID 102751909

IUPAC2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-11-10-20-14(9-16-12-7-8-12)15(11)21(18,19)17-13-5-3-2-4-6-13/h2-6,10,12,16-17H,7-9H2,1H3
InChIKeyKGKJLYHZXLAPMF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.11
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide (PubChem CID 102751909) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
PubChem CID102751909
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-11-10-20-14(9-16-12-7-8-12)15(11)21(18,19)17-13-5-3-2-4-6-13/h2-6,10,12,16-17H,7-9H2,1H3
InChIKeyKGKJLYHZXLAPMF-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
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
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
CID 102754693
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide (CID 102751909) is 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide?
The InChIKey is KGKJLYHZXLAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-10-20-14(9-16-12-7-8-12)15(11)21(18,19)17-13-5-3-2-4-6-13/h2-6,10,12,16-17H,7-9H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide has a molecular weight of 322.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide is sourced from PubChem (CID 102751909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).