ethane;2-ethenylsulfanylcyclohexen-1-amine

C12H25NS — CID 164531503

IUPACethane;2-ethenylsulfanylcyclohexen-1-amine
SMILESC=CSC1=C(N)CCCC1.CC.CC
InChIInChI=1S/C8H13NS.2C2H6/c1-2-10-8-6-4-3-5-7(8)9;2*1-2/h2H,1,3-6,9H2;2*1-2H3
InChIKeyQKZLDNNTVYIBKZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP4.66
Rot. Bonds2

About ethane;2-ethenylsulfanylcyclohexen-1-amine

ethane;2-ethenylsulfanylcyclohexen-1-amine (PubChem CID 164531503) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is ethane;2-ethenylsulfanylcyclohexen-1-amine.

Molecular Properties

Compound Nameethane;2-ethenylsulfanylcyclohexen-1-amine
PubChem CID164531503
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Nameethane;2-ethenylsulfanylcyclohexen-1-amine
SMILESC=CSC1=C(N)CCCC1.CC.CC
InChIInChI=1S/C8H13NS.2C2H6/c1-2-10-8-6-4-3-5-7(8)9;2*1-2/h2H,1,3-6,9H2;2*1-2H3
InChIKeyQKZLDNNTVYIBKZ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z)-cyclodecene-1,2-diamine
CID 89062858
ethane;2-methanimidoylcyclohexen-1-amine
CID 142160083
2-(2-aminocycloocten-1-yl)cycloocten-1-amine
CID 151733576
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine;ethane
CID 163386087
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
2-(ethyliminomethyl)cyclohexen-1-amine
CID 89395306
cyclopropane;ethane;ethenamine;propane
CID 165407698
ethane;ethenylsulfanylethene
CID 142048646
cyclobutane;ethane;prop-1-ene
CID 142065281
ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
CID 142128352
(1E,2Z)-1,2-bis(but-3-enylidene)cyclohexane
CID 177482079
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenylsulfanylcyclohexen-1-amine?
The IUPAC name of ethane;2-ethenylsulfanylcyclohexen-1-amine (CID 164531503) is ethane;2-ethenylsulfanylcyclohexen-1-amine.
What is the SMILES notation for ethane;2-ethenylsulfanylcyclohexen-1-amine?
The canonical SMILES for ethane;2-ethenylsulfanylcyclohexen-1-amine is C=CSC1=C(N)CCCC1.CC.CC.
What is the InChIKey of ethane;2-ethenylsulfanylcyclohexen-1-amine?
The InChIKey is QKZLDNNTVYIBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.2C2H6/c1-2-10-8-6-4-3-5-7(8)9;2*1-2/h2H,1,3-6,9H2;2*1-2H3.
What are the key properties of ethane;2-ethenylsulfanylcyclohexen-1-amine?
ethane;2-ethenylsulfanylcyclohexen-1-amine has a molecular weight of 215.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenylsulfanylcyclohexen-1-amine is sourced from PubChem (CID 164531503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).