N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine

C11H19NS — CID 143454063

IUPACN-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine
SMILESC=CNC(SCC)C1=CCCCC1
InChIInChI=1S/C11H19NS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3,8,11-12H,1,4-7,9H2,2H3
InChIKeyAUAPYZKNFJXJER-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.30
Rot. Bonds5

About N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine

N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine (PubChem CID 143454063) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine
PubChem CID143454063
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine
SMILESC=CNC(SCC)C1=CCCCC1
InChIInChI=1S/C11H19NS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3,8,11-12H,1,4-7,9H2,2H3
InChIKeyAUAPYZKNFJXJER-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methyl-4-propylcyclohexa-2,4-dien-1-yl)sulfanyl-1,2-dihydropyridine
CID 89749974
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)-1,2,3,6-tetrahydropyridine
CID 123222101
2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole
CID 141427364
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)-1,2,3,6-tetrahydropyridine
CID 145587805
(2R)-N-(cyclohexen-1-ylmethyl)-1-ethylsulfanylpropan-2-amine
CID 163672391
(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine
CID 166941662
1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
CID 170286317
N,3-dimethyl-1-(thian-2-yl)but-2-en-1-amine
CID 80627135
N-[2-(cyclohexen-1-yl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104080009
1-(cyclohexen-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653107
1-(cyclohexen-1-yl)-N-methyl-2-propylsulfanylethanamine
CID 106653118
1-(cyclohexen-1-yl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 106653129

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine?
The IUPAC name of N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine (CID 143454063) is N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine.
What is the SMILES notation for N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine?
The canonical SMILES for N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine is C=CNC(SCC)C1=CCCCC1.
What is the InChIKey of N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine?
The InChIKey is AUAPYZKNFJXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3,8,11-12H,1,4-7,9H2,2H3.
What are the key properties of N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine?
N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine has a molecular weight of 197.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine is sourced from PubChem (CID 143454063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).