N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine

C12H21NS — CID 127015746

IUPACN-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC1CC=CC1
InChIInChI=1S/C12H21NS/c1-14-12-9-5-4-8-11(12)13-10-6-2-3-7-10/h2-3,10-13H,4-9H2,1H3
InChIKeyZDGZZNRXKRGJDS-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.97
Rot. Bonds3

About N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine

N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine (PubChem CID 127015746) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
PubChem CID127015746
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC1CC=CC1
InChIInChI=1S/C12H21NS/c1-14-12-9-5-4-8-11(12)13-10-6-2-3-7-10/h2-3,10-13H,4-9H2,1H3
InChIKeyZDGZZNRXKRGJDS-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
CID 114122303
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
CID 130622334
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine
CID 130934187
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate
CID 103785659

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine (CID 127015746) is N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is ZDGZZNRXKRGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-14-12-9-5-4-8-11(12)13-10-6-2-3-7-10/h2-3,10-13H,4-9H2,1H3.
What are the key properties of N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine?
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 127015746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).