N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide

C14H24N2O2S3 — CID 106092174

IUPACN-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCC(SC)C2)cs1
InChIInChI=1S/C14H24N2O2S3/c1-3-6-15-9-13-8-14(10-20-13)21(17,18)16-11-4-5-12(7-11)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3
InChIKeyOGQIIBMMNCMLBG-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.81
Rot. Bonds8

About N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide

N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106092174) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106092174
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC NameN-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCC(SC)C2)cs1
InChIInChI=1S/C14H24N2O2S3/c1-3-6-15-9-13-8-14(10-20-13)21(17,18)16-11-4-5-12(7-11)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3
InChIKeyOGQIIBMMNCMLBG-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106063271
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-1-amine
CID 66372289
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
N-(1,4-dithian-2-ylmethyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078382
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide (CID 106092174) is N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC2CCC(SC)C2)cs1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is OGQIIBMMNCMLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-3-6-15-9-13-8-14(10-20-13)21(17,18)16-11-4-5-12(7-11)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106092174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).