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

C14H24N2O2S2 — CID 106026704

IUPACN-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C14H24N2O2S2/c1-2-8-15-11-13-14(7-9-19-13)20(17,18)16-10-12-5-3-4-6-12/h7,9,12,15-16H,2-6,8,10-11H2,1H3
InChIKeyXLBNPLSGEDIQHP-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.72
Rot. Bonds8

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

N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106026704) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106026704
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C14H24N2O2S2/c1-2-8-15-11-13-14(7-9-19-13)20(17,18)16-10-12-5-3-4-6-12/h7,9,12,15-16H,2-6,8,10-11H2,1H3
InChIKeyXLBNPLSGEDIQHP-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.72
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-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106026704) is N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is XLBNPLSGEDIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-2-8-15-11-13-14(7-9-19-13)20(17,18)16-10-12-5-3-4-6-12/h7,9,12,15-16H,2-6,8,10-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106026704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).