5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine

C13H25NS — CID 79863086

IUPAC5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(SC2CCCC2)CCC1(C)C
InChIInChI=1S/C13H25NS/c1-13(2)9-8-11(12(13)14-3)15-10-6-4-5-7-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYCUFUPHZKRRLJQ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine

5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79863086) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79863086
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(SC2CCCC2)CCC1(C)C
InChIInChI=1S/C13H25NS/c1-13(2)9-8-11(12(13)14-3)15-10-6-4-5-7-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYCUFUPHZKRRLJQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine
CID 107764178
1-N,1-N,2-N,3,3-pentamethylcyclopentane-1,2-diamine
CID 79864117
methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
CID 79863385
2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine
CID 64634815
2-[3,3-dimethyl-2-(methylamino)cyclohexyl]sulfanylethanol
CID 79847782
N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine
CID 79862254
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395
5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
CID 103290988
N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
CID 79862767
3-[3,3-dimethyl-2-(methylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852844
1-N-(2,2-dimethylpropyl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859576

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine (CID 79863086) is 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine is CNC1C(SC2CCCC2)CCC1(C)C.
What is the InChIKey of 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is YCUFUPHZKRRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-13(2)9-8-11(12(13)14-3)15-10-6-4-5-7-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine?
5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79863086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).