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

C7H15NS — CID 130374445

IUPAC(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine
SMILESCN/C(C)=C\SC(C)C
InChIInChI=1S/C7H15NS/c1-6(2)9-5-7(3)8-4/h5-6,8H,1-4H3/b7-5-
InChIKeyBHIZDEQXECDSAC-ALCCZGGFSA-N
MW145.27 g/mol
LogP2.21
Rot. Bonds3

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

(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine (PubChem CID 130374445) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine
PubChem CID130374445
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine
SMILESCN/C(C)=C\SC(C)C
InChIInChI=1S/C7H15NS/c1-6(2)9-5-7(3)8-4/h5-6,8H,1-4H3/b7-5-
InChIKeyBHIZDEQXECDSAC-ALCCZGGFSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine?
The IUPAC name of (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine (CID 130374445) is (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine?
The canonical SMILES for (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine is CN/C(C)=C\SC(C)C.
What is the InChIKey of (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine?
The InChIKey is BHIZDEQXECDSAC-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)9-5-7(3)8-4/h5-6,8H,1-4H3/b7-5-.
What are the key properties of (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine?
(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine is sourced from PubChem (CID 130374445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).