3-methyl-N-methylsulfanylpent-3-en-2-imine

C7H13NS — CID 123885621

IUPAC3-methyl-N-methylsulfanylpent-3-en-2-imine
SMILESCC=C(C)C(C)=NSC
InChIInChI=1S/C7H13NS/c1-5-6(2)7(3)8-9-4/h5H,1-4H3
InChIKeyYHINEDIIIDXQEW-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds2

About 3-methyl-N-methylsulfanylpent-3-en-2-imine

3-methyl-N-methylsulfanylpent-3-en-2-imine (PubChem CID 123885621) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-methyl-N-methylsulfanylpent-3-en-2-imine.

Molecular Properties

Compound Name3-methyl-N-methylsulfanylpent-3-en-2-imine
PubChem CID123885621
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-methyl-N-methylsulfanylpent-3-en-2-imine
SMILESCC=C(C)C(C)=NSC
InChIInChI=1S/C7H13NS/c1-5-6(2)7(3)8-9-4/h5H,1-4H3
InChIKeyYHINEDIIIDXQEW-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylsulfanyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 91203748
(NZ)-N-[(Z)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 117768341
6-butylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 123642712
(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium
CID 140577226
(Z)-3-methyl-N-methylsulfanylbut-3-en-2-imine
CID 141867220
(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 142052098
3,4-Dimethylthiazepine
CID 151356754
6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 154044073
3-methyl-6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 154044169
N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine
CID 158484748
3,5-dimethyl-6H-thiazine;ethane
CID 165130290
6-ethylidene-4-methyl-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 173477965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfanylpent-3-en-2-imine?
The IUPAC name of 3-methyl-N-methylsulfanylpent-3-en-2-imine (CID 123885621) is 3-methyl-N-methylsulfanylpent-3-en-2-imine.
What is the SMILES notation for 3-methyl-N-methylsulfanylpent-3-en-2-imine?
The canonical SMILES for 3-methyl-N-methylsulfanylpent-3-en-2-imine is CC=C(C)C(C)=NSC.
What is the InChIKey of 3-methyl-N-methylsulfanylpent-3-en-2-imine?
The InChIKey is YHINEDIIIDXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-6(2)7(3)8-9-4/h5H,1-4H3.
What are the key properties of 3-methyl-N-methylsulfanylpent-3-en-2-imine?
3-methyl-N-methylsulfanylpent-3-en-2-imine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfanylpent-3-en-2-imine is sourced from PubChem (CID 123885621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).