N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106026782

IUPACN-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCCC2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-9-15(12(2)20-14)21(18,19)17-10-13-6-4-5-7-13/h9,13,16-17H,3-8,10-11H2,1-2H3
InChIKeyDEAGRHZZARGQCT-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.02
Rot. Bonds8

About N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide

N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106026782) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106026782
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCCC2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-9-15(12(2)20-14)21(18,19)17-10-13-6-4-5-7-13/h9,13,16-17H,3-8,10-11H2,1-2H3
InChIKeyDEAGRHZZARGQCT-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2-bromo-5-(propylaminomethyl)-N-(thiolan-2-ylmethyl)thiophene-3-sulfonamide
CID 106071616
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106065891
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide (CID 106026782) is N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCC2CCCC2)c(C)s1.
What is the InChIKey of N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DEAGRHZZARGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-9-15(12(2)20-14)21(18,19)17-10-13-6-4-5-7-13/h9,13,16-17H,3-8,10-11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide?
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106026782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).