(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine

C11H19NS — CID 138717597

IUPAC(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine
SMILESC=C[C@H]1CCCC(S/C=C\C)C1N
InChIInChI=1S/C11H19NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3-4,8-11H,2,5-7,12H2,1H3/b8-3-/t9-,10?,11?/m0/s1
InChIKeyGOSIBDWFLSXFJY-RNYKZXEHSA-N
MW197.35 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine

(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine (PubChem CID 138717597) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine
PubChem CID138717597
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine
SMILESC=C[C@H]1CCCC(S/C=C\C)C1N
InChIInChI=1S/C11H19NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3-4,8-11H,2,5-7,12H2,1H3/b8-3-/t9-,10?,11?/m0/s1
InChIKeyGOSIBDWFLSXFJY-RNYKZXEHSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.94
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

1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
3a,4,5,6,7,7a-Hexahydro-1-benzothiophen-4-amine
CID 134515568
4-ethenyl-N-ethylsulfanylcyclohexan-1-amine
CID 168924995
1-(Thian-4-yl)pent-4-en-2-amine
CID 105108153
2,2-Dimethyl-6-prop-2-enylsulfanylcyclohexan-1-amine
CID 130508012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine?
The IUPAC name of (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine (CID 138717597) is (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine.
What is the SMILES notation for (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine?
The canonical SMILES for (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine is C=C[C@H]1CCCC(S/C=C\C)C1N.
What is the InChIKey of (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine?
The InChIKey is GOSIBDWFLSXFJY-RNYKZXEHSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3-4,8-11H,2,5-7,12H2,1H3/b8-3-/t9-,10?,11?/m0/s1.
What are the key properties of (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine?
(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine is sourced from PubChem (CID 138717597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).