2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol

C8H19N3OS — CID 118616705

IUPAC2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol
SMILESCN/C(=C\SCN)CN(C)CCO
InChIInChI=1S/C8H19N3OS/c1-10-8(6-13-7-9)5-11(2)3-4-12/h6,10,12H,3-5,7,9H2,1-2H3/b8-6-
InChIKeyGHWNLUWKLIPVFJ-VURMDHGXSA-N
MW205.33 g/mol
LogP-0.38
Rot. Bonds7

About 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol

2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol (PubChem CID 118616705) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol
PubChem CID118616705
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol
SMILESCN/C(=C\SCN)CN(C)CCO
InChIInChI=1S/C8H19N3OS/c1-10-8(6-13-7-9)5-11(2)3-4-12/h6,10,12H,3-5,7,9H2,1-2H3/b8-6-
InChIKeyGHWNLUWKLIPVFJ-VURMDHGXSA-N
XLogP-0.38
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol?
The IUPAC name of 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol (CID 118616705) is 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol is CN/C(=C\SCN)CN(C)CCO.
What is the InChIKey of 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol?
The InChIKey is GHWNLUWKLIPVFJ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-10-8(6-13-7-9)5-11(2)3-4-12/h6,10,12H,3-5,7,9H2,1-2H3/b8-6-.
What are the key properties of 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol?
2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol has a molecular weight of 205.33 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-(aminomethylsulfanyl)-2-(methylamino)prop-2-enyl]-methylamino]ethanol is sourced from PubChem (CID 118616705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).