2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol

C7H14N2OS — CID 170714056

IUPAC2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol
SMILESC/N=C(/C=C\N)CSCCO
InChIInChI=1S/C7H14N2OS/c1-9-7(2-3-8)6-11-5-4-10/h2-3,10H,4-6,8H2,1H3/b3-2-,9-7-
InChIKeyXXMIYDNKEPEQJT-YXRHTCTQSA-N
MW174.27 g/mol
LogP0.26
Rot. Bonds5

About 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol

2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol (PubChem CID 170714056) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol
PubChem CID170714056
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol
SMILESC/N=C(/C=C\N)CSCCO
InChIInChI=1S/C7H14N2OS/c1-9-7(2-3-8)6-11-5-4-10/h2-3,10H,4-6,8H2,1H3/b3-2-,9-7-
InChIKeyXXMIYDNKEPEQJT-YXRHTCTQSA-N
XLogP0.26
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-hydroxyethylsulfanyl)acetate
CID 11030166
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
N-ethyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43502624
1-(2-hydroxyethylsulfanyl)-3,3-dimethylbutan-2-one
CID 43225024
3-(2-hydroxyethylsulfanylmethyl)but-3-en-2-one
CID 20704201
[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
CID 163401081
4-amino-2-methyliminobut-3-enal
CID 159791397
2-(2-ethylsulfanylethylsulfanyl)ethanol
CID 528228
2-(2-methylsulfanylethylsulfanyl)ethanol
CID 15150064
2-(methylsulfanylmethylsulfanyl)ethanol
CID 20700707
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133
2-(4-aminobut-2-enylsulfanyl)ethanol
CID 77110376

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol?
The IUPAC name of 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol (CID 170714056) is 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol.
What is the SMILES notation for 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol?
The canonical SMILES for 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol is C/N=C(/C=C\N)CSCCO.
What is the InChIKey of 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol?
The InChIKey is XXMIYDNKEPEQJT-YXRHTCTQSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-9-7(2-3-8)6-11-5-4-10/h2-3,10H,4-6,8H2,1H3/b3-2-,9-7-.
What are the key properties of 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol?
2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol has a molecular weight of 174.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol is sourced from PubChem (CID 170714056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).