3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine

C12H25NS — CID 64722459

IUPAC3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(SC(C)CC)C1
InChIInChI=1S/C12H25NS/c1-4-8-13-11-6-7-12(9-11)14-10(3)5-2/h10-13H,4-9H2,1-3H3
InChIKeyCVAHYJUCQWWIQL-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds6

About 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine

3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine (PubChem CID 64722459) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
PubChem CID64722459
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(SC(C)CC)C1
InChIInChI=1S/C12H25NS/c1-4-8-13-11-6-7-12(9-11)14-10(3)5-2/h10-13H,4-9H2,1-3H3
InChIKeyCVAHYJUCQWWIQL-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
butan-2-ylsulfanylcyclopropane
CID 59881925
3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
CID 79671709
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
CID 69425142
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
2-methyl-3-[3-(propylamino)cyclohexyl]sulfanylpropan-1-ol
CID 66104134
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine (CID 64722459) is 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCC(SC(C)CC)C1.
What is the InChIKey of 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is CVAHYJUCQWWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-8-13-11-6-7-12(9-11)14-10(3)5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine?
3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64722459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).