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

C15H24N2O2S2 — CID 102754819

IUPAC2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C15H24N2O2S2/c1-10(12-3-4-12)7-17-21(18,19)15-11(2)9-20-14(15)8-16-13-5-6-13/h9-10,12-13,16-17H,3-8H2,1-2H3
InChIKeyPHTZVABBNPBWHR-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.63
Rot. Bonds8

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

2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102754819) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
PubChem CID102754819
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C15H24N2O2S2/c1-10(12-3-4-12)7-17-21(18,19)15-11(2)9-20-14(15)8-16-13-5-6-13/h9-10,12-13,16-17H,3-8H2,1-2H3
InChIKeyPHTZVABBNPBWHR-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
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
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
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-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide (CID 102754819) is 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is PHTZVABBNPBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10(12-3-4-12)7-17-21(18,19)15-11(2)9-20-14(15)8-16-13-5-6-13/h9-10,12-13,16-17H,3-8H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102754819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).