(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine

C6H11NS — CID 148853023

IUPAC(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\NC)SC
InChIInChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5,7H,1H2,2-3H3/b5-4-
InChIKeyOXVDNHBJFCFUFS-PLNGDYQASA-N
MW129.23 g/mol
LogP1.60
Rot. Bonds3

About (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine

(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine (PubChem CID 148853023) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine
PubChem CID148853023
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\NC)SC
InChIInChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5,7H,1H2,2-3H3/b5-4-
InChIKeyOXVDNHBJFCFUFS-PLNGDYQASA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
CID 143019199
2-methylsulfanylhexa-1,3,5-triene
CID 123672655
(Z)-3-(methylamino)prop-2-enethioamide
CID 59970793
(1Z,3Z)-3-ethylidene-N,5-dimethylhexa-1,5-dien-1-amine
CID 134476400
(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine
CID 176958056
[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 153236668
(1E,3Z)-2-amino-4-(methylamino)buta-1,3-diene-1-thiol
CID 126635760
(E)-3-(methylamino)prop-2-enethioic S-acid
CID 87476342
1-N'-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]ethene-1,1-diamine
CID 89038323
(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine
CID 145212515
(E)-N-methyl-2-[methyl(prop-1-en-2-yl)phosphanyl]ethenamine
CID 170136913
(1Z,3E)-N-methyl-3-methylsulfanyl-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 163392986

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine (CID 148853023) is (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine is C=C(/C=C\NC)SC.
What is the InChIKey of (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine?
The InChIKey is OXVDNHBJFCFUFS-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5,7H,1H2,2-3H3/b5-4-.
What are the key properties of (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine?
(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine has a molecular weight of 129.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine is sourced from PubChem (CID 148853023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).