3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide

C14H22N2O2S2 — CID 103911013

IUPAC3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCSC1CCC(NC(C)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H22N2O2S2/c1-10(16-12-6-7-13(9-12)19-2)11-4-3-5-14(8-11)20(15,17)18/h3-5,8,10,12-13,16H,6-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyFOKVUCVDPOEEFO-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.27
Rot. Bonds5

About 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide

3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide (PubChem CID 103911013) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
PubChem CID103911013
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCSC1CCC(NC(C)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H22N2O2S2/c1-10(16-12-6-7-13(9-12)19-2)11-4-3-5-14(8-11)20(15,17)18/h3-5,8,10,12-13,16H,6-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyFOKVUCVDPOEEFO-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide (CID 103911013) is 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide is CSC1CCC(NC(C)c2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is FOKVUCVDPOEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10(16-12-6-7-13(9-12)19-2)11-4-3-5-14(8-11)20(15,17)18/h3-5,8,10,12-13,16H,6-7,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide?
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103911013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).