N-(4-methylsulfanylpent-2-en-3-yl)methanimine

C7H13NS — CID 123620663

IUPACN-(4-methylsulfanylpent-2-en-3-yl)methanimine
SMILESC=NC(=CC)C(C)SC
InChIInChI=1S/C7H13NS/c1-5-7(8-3)6(2)9-4/h5-6H,3H2,1-2,4H3
InChIKeyQYTUUKOYXFBANE-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.34
Rot. Bonds3

About N-(4-methylsulfanylpent-2-en-3-yl)methanimine

N-(4-methylsulfanylpent-2-en-3-yl)methanimine (PubChem CID 123620663) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-(4-methylsulfanylpent-2-en-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylsulfanylpent-2-en-3-yl)methanimine
PubChem CID123620663
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-(4-methylsulfanylpent-2-en-3-yl)methanimine
SMILESC=NC(=CC)C(C)SC
InChIInChI=1S/C7H13NS/c1-5-7(8-3)6(2)9-4/h5-6H,3H2,1-2,4H3
InChIKeyQYTUUKOYXFBANE-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-methylsulfanylbut-1-en-2-yl]methanimine
CID 88304769
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
6-methyl-4-propan-2-yl-6H-1,3-thiazine
CID 129239235
(6S)-6-methyl-4-propan-2-yl-6H-1,3-thiazine
CID 130225265
ethyl N-[(E)-but-2-en-2-yl]methanimidothioate
CID 134377616
N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
CID 138672631
[(Z)-4,4-dimethylpent-2-enyl] N-prop-1-en-2-ylmethanimidothioate
CID 139541592
N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
CID 143081164
4,6,6-Trimethyl-1,3-thiazine
CID 143494436
ethyl N-[(Z)-pent-2-en-2-yl]methanimidothioate
CID 143539489
ethyl N-[(E)-pent-2-en-2-yl]methanimidothioate
CID 155184590
N-[(Z)-1-ethylsulfanylpent-2-en-3-yl]methanimine
CID 156301049

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylpent-2-en-3-yl)methanimine?
The IUPAC name of N-(4-methylsulfanylpent-2-en-3-yl)methanimine (CID 123620663) is N-(4-methylsulfanylpent-2-en-3-yl)methanimine.
What is the SMILES notation for N-(4-methylsulfanylpent-2-en-3-yl)methanimine?
The canonical SMILES for N-(4-methylsulfanylpent-2-en-3-yl)methanimine is C=NC(=CC)C(C)SC.
What is the InChIKey of N-(4-methylsulfanylpent-2-en-3-yl)methanimine?
The InChIKey is QYTUUKOYXFBANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-7(8-3)6(2)9-4/h5-6H,3H2,1-2,4H3.
What are the key properties of N-(4-methylsulfanylpent-2-en-3-yl)methanimine?
N-(4-methylsulfanylpent-2-en-3-yl)methanimine has a molecular weight of 143.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylpent-2-en-3-yl)methanimine is sourced from PubChem (CID 123620663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).