(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine

C7H14N2S — CID 89101087

IUPAC(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine
SMILESC=C(NC)S/C(C)=C(/C)N
InChIInChI=1S/C7H14N2S/c1-5(8)6(2)10-7(3)9-4/h9H,3,8H2,1-2,4H3/b6-5-
InChIKeyYCNYWVKFGVCBRX-WAYWQWQTSA-N
MW158.27 g/mol
LogP1.62
Rot. Bonds3

About (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine

(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine (PubChem CID 89101087) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine
PubChem CID89101087
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine
SMILESC=C(NC)S/C(C)=C(/C)N
InChIInChI=1S/C7H14N2S/c1-5(8)6(2)10-7(3)9-4/h9H,3,8H2,1-2,4H3/b6-5-
InChIKeyYCNYWVKFGVCBRX-WAYWQWQTSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine?
The IUPAC name of (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine (CID 89101087) is (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine.
What is the SMILES notation for (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine?
The canonical SMILES for (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine is C=C(NC)S/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine?
The InChIKey is YCNYWVKFGVCBRX-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14N2S/c1-5(8)6(2)10-7(3)9-4/h9H,3,8H2,1-2,4H3/b6-5-.
What are the key properties of (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine?
(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine has a molecular weight of 158.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine is sourced from PubChem (CID 89101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).