N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 79014699

IUPACN-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C15H26N2O2S2/c1-4-16-10-13-9-15(20-11-13)21(18,19)17(14-5-6-14)8-7-12(2)3/h9,11-12,14,16H,4-8,10H2,1-3H3
InChIKeyNIGORLLFGDIIEV-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.06
Rot. Bonds9

About N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide

N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide (PubChem CID 79014699) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide
PubChem CID79014699
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C15H26N2O2S2/c1-4-16-10-13-9-15(20-11-13)21(18,19)17(14-5-6-14)8-7-12(2)3/h9,11-12,14,16H,4-8,10H2,1-3H3
InChIKeyNIGORLLFGDIIEV-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide (CID 79014699) is N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)N(CCC(C)C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide?
The InChIKey is NIGORLLFGDIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-16-10-13-9-15(20-11-13)21(18,19)17(14-5-6-14)8-7-12(2)3/h9,11-12,14,16H,4-8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide?
N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79014699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).