2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine

C10H19NS — CID 102613972

IUPAC2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCCC1SC
InChIInChI=1S/C10H19NS/c1-3-8-11-9-6-4-5-7-10(9)12-2/h3,9-11H,1,4-8H2,2H3
InChIKeyGZHFSUUWSFVUSS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds4

About 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine

2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 102613972) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID102613972
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCCC1SC
InChIInChI=1S/C10H19NS/c1-3-8-11-9-6-4-5-7-10(9)12-2/h3,9-11H,1,4-8H2,2H3
InChIKeyGZHFSUUWSFVUSS-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
2-(prop-2-enylamino)cyclohexane-1-carbonitrile
CID 62743491
2-methyl-N-prop-2-enylthian-3-amine
CID 79957259
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine (CID 102613972) is 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCCCC1SC.
What is the InChIKey of 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is GZHFSUUWSFVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-8-11-9-6-4-5-7-10(9)12-2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine?
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 102613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).