(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine

C7H13NS — CID 134172105

IUPAC(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine
SMILESC/C=C\S/C=C(\C)NC
InChIInChI=1S/C7H13NS/c1-4-5-9-6-7(2)8-3/h4-6,8H,1-3H3/b5-4-,7-6+
InChIKeyZMZAIGBSMCFSMY-SCFJQAPRSA-N
MW143.25 g/mol
LogP2.33
Rot. Bonds3

About (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine

(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine (PubChem CID 134172105) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine
PubChem CID134172105
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine
SMILESC/C=C\S/C=C(\C)NC
InChIInChI=1S/C7H13NS/c1-4-5-9-6-7(2)8-3/h4-6,8H,1-3H3/b5-4-,7-6+
InChIKeyZMZAIGBSMCFSMY-SCFJQAPRSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine?
The IUPAC name of (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine (CID 134172105) is (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine.
What is the SMILES notation for (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine?
The canonical SMILES for (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine is C/C=C\S/C=C(\C)NC.
What is the InChIKey of (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine?
The InChIKey is ZMZAIGBSMCFSMY-SCFJQAPRSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-5-9-6-7(2)8-3/h4-6,8H,1-3H3/b5-4-,7-6+.
What are the key properties of (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine?
(E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine has a molecular weight of 143.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-en-2-amine is sourced from PubChem (CID 134172105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).