(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine

C7H15NS — CID 170056119

IUPAC(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCNC/C=C\SC(C)C
InChIInChI=1S/C7H15NS/c1-7(2)9-6-4-5-8-3/h4,6-8H,5H2,1-3H3/b6-4-
InChIKeyWFRNCSFIOFURHY-XQRVVYSFSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds4

About (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine

(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine (PubChem CID 170056119) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
PubChem CID170056119
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCNC/C=C\SC(C)C
InChIInChI=1S/C7H15NS/c1-7(2)9-6-4-5-8-3/h4,6-8H,5H2,1-3H3/b6-4-
InChIKeyWFRNCSFIOFURHY-XQRVVYSFSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine (CID 170056119) is (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine is CNC/C=C\SC(C)C.
What is the InChIKey of (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The InChIKey is WFRNCSFIOFURHY-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)9-6-4-5-8-3/h4,6-8H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
(Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 170056119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).