(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine

C12H21NS — CID 143331734

IUPAC(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
SMILESC/C=C(/C)SC/C=C(CC)\C(C)=N\C
InChIInChI=1S/C12H21NS/c1-6-10(3)14-9-8-12(7-2)11(4)13-5/h6,8H,7,9H2,1-5H3/b10-6-,12-8-,13-11+
InChIKeyPNXONUPALHVGQU-KFRVRMDTSA-N
MW211.37 g/mol
LogP4.07
Rot. Bonds5

About (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine

(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine (PubChem CID 143331734) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
PubChem CID143331734
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
SMILESC/C=C(/C)SC/C=C(CC)\C(C)=N\C
InChIInChI=1S/C12H21NS/c1-6-10(3)14-9-8-12(7-2)11(4)13-5/h6,8H,7,9H2,1-5H3/b10-6-,12-8-,13-11+
InChIKeyPNXONUPALHVGQU-KFRVRMDTSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine with MolForge

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Related Compounds

3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine
CID 123547639
(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
CID 126491003
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
CID 146590425
3-[[(5Z)-2,5-dimethylhepta-2,5-dien-4-ylidene]amino]propane-1-thiol
CID 155053640
ethane;(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine;propane
CID 172567417
CID 173958438
CID 173958438
(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
CID 143718079
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
CID 143858139
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858159

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine (CID 143331734) is (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine is C/C=C(/C)SC/C=C(CC)\C(C)=N\C.
What is the InChIKey of (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine?
The InChIKey is PNXONUPALHVGQU-KFRVRMDTSA-N. The full InChI is InChI=1S/C12H21NS/c1-6-10(3)14-9-8-12(7-2)11(4)13-5/h6,8H,7,9H2,1-5H3/b10-6-,12-8-,13-11+.
What are the key properties of (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine?
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine has a molecular weight of 211.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine is sourced from PubChem (CID 143331734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).