(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine

C7H13NS — CID 14398044

IUPAC(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC/C=C\SC
InChIInChI=1S/C7H13NS/c1-3-5-8-6-4-7-9-2/h3-4,7-8H,1,5-6H2,2H3/b7-4-
InChIKeyCLQDUTPNXVHRTB-DAXSKMNVSA-N
MW143.25 g/mol
LogP1.64
Rot. Bonds5

About (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine

(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 14398044) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID14398044
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC/C=C\SC
InChIInChI=1S/C7H13NS/c1-3-5-8-6-4-7-9-2/h3-4,7-8H,1,5-6H2,2H3/b7-4-
InChIKeyCLQDUTPNXVHRTB-DAXSKMNVSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine (CID 14398044) is (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine is C=CCNC/C=C\SC.
What is the InChIKey of (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is CLQDUTPNXVHRTB-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-5-8-6-4-7-9-2/h3-4,7-8H,1,5-6H2,2H3/b7-4-.
What are the key properties of (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine?
(Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 14398044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).