(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol

C10H20N2S — CID 166925699

IUPAC(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol
SMILESC=CN(/C=C/S)CC(CC)CNC
InChIInChI=1S/C10H20N2S/c1-4-10(8-11-3)9-12(5-2)6-7-13/h5-7,10-11,13H,2,4,8-9H2,1,3H3/b7-6+
InChIKeyHMYLMNCCGRNQCF-VOTSOKGWSA-N
MW200.35 g/mol
LogP2.08
Rot. Bonds7

About (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol

(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol (PubChem CID 166925699) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol.

Molecular Properties

Compound Name(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol
PubChem CID166925699
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol
SMILESC=CN(/C=C/S)CC(CC)CNC
InChIInChI=1S/C10H20N2S/c1-4-10(8-11-3)9-12(5-2)6-7-13/h5-7,10-11,13H,2,4,8-9H2,1,3H3/b7-6+
InChIKeyHMYLMNCCGRNQCF-VOTSOKGWSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol?
The IUPAC name of (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol (CID 166925699) is (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol.
What is the SMILES notation for (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol?
The canonical SMILES for (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol is C=CN(/C=C/S)CC(CC)CNC.
What is the InChIKey of (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol?
The InChIKey is HMYLMNCCGRNQCF-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20N2S/c1-4-10(8-11-3)9-12(5-2)6-7-13/h5-7,10-11,13H,2,4,8-9H2,1,3H3/b7-6+.
What are the key properties of (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol?
(E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol has a molecular weight of 200.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[ethenyl-[2-(methylaminomethyl)butyl]amino]ethenethiol is sourced from PubChem (CID 166925699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).