(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine

C5H12N2S — CID 142988817

IUPAC(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C\SCN
InChIInChI=1S/C5H12N2S/c1-5(7-2)3-8-4-6/h3,7H,4,6H2,1-2H3/b5-3-
InChIKeyGCINSESOKYVFMM-HYXAFXHYSA-N
MW132.23 g/mol
LogP0.72
Rot. Bonds3

About (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine

(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine (PubChem CID 142988817) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine
PubChem CID142988817
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C\SCN
InChIInChI=1S/C5H12N2S/c1-5(7-2)3-8-4-6/h3,7H,4,6H2,1-2H3/b5-3-
InChIKeyGCINSESOKYVFMM-HYXAFXHYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-1-amino-2-(aminomethylsulfanyl)ethenyl]-N-methylaniline
CID 142999337
(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
CID 174281685
(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
CID 174083742
2-[(Z)-3-(methylamino)but-2-enoyl]oxyethyl (Z)-3-(methylamino)but-2-enoate
CID 88715012
[(Z)-prop-1-enyl]sulfanylmethanamine
CID 143909807
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(2E,4Z)-2-(aminomethyl)-3-methoxy-5-(methylamino)hexa-2,4-dienal
CID 144683567
(Z)-N-methylhept-2-en-2-amine
CID 90448408
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine?
The IUPAC name of (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine (CID 142988817) is (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine?
The canonical SMILES for (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine is CN/C(C)=C\SCN.
What is the InChIKey of (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine?
The InChIKey is GCINSESOKYVFMM-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5(7-2)3-8-4-6/h3,7H,4,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine?
(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine has a molecular weight of 132.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 142988817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).