2-(pent-4-enylamino)ethanethiol

C7H15NS — CID 71436009

IUPAC2-(pent-4-enylamino)ethanethiol
SMILESC=CCCCNCCS
InChIInChI=1S/C7H15NS/c1-2-3-4-5-8-6-7-9/h2,8-9H,1,3-7H2
InChIKeyFOCDMJYXAUIUJD-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.47
Rot. Bonds6

About 2-(pent-4-enylamino)ethanethiol

2-(pent-4-enylamino)ethanethiol (PubChem CID 71436009) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(pent-4-enylamino)ethanethiol.

Molecular Properties

Compound Name2-(pent-4-enylamino)ethanethiol
PubChem CID71436009
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(pent-4-enylamino)ethanethiol
SMILESC=CCCCNCCS
InChIInChI=1S/C7H15NS/c1-2-3-4-5-8-6-7-9/h2,8-9H,1,3-7H2
InChIKeyFOCDMJYXAUIUJD-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pent-4-enylamino)ethanethiol 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

N'-pent-4-enylbutane-1,4-diamine
CID 89325974
N-pent-4-enyloctan-1-amine
CID 79006791
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
N'-hept-6-enylethane-1,2-diamine
CID 107006766
N-ethenylpent-4-en-1-amine
CID 142515999
N-propylnon-8-en-1-amine
CID 107010151
N-(3-cyclopentylpropyl)pent-4-en-1-amine
CID 106010673
3-(hex-5-enylamino)propanenitrile
CID 101282809
2-(hexa-2,5-dienylamino)ethanethiol
CID 3058768
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enylamino)ethanethiol?
The IUPAC name of 2-(pent-4-enylamino)ethanethiol (CID 71436009) is 2-(pent-4-enylamino)ethanethiol.
What is the SMILES notation for 2-(pent-4-enylamino)ethanethiol?
The canonical SMILES for 2-(pent-4-enylamino)ethanethiol is C=CCCCNCCS.
What is the InChIKey of 2-(pent-4-enylamino)ethanethiol?
The InChIKey is FOCDMJYXAUIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-3-4-5-8-6-7-9/h2,8-9H,1,3-7H2.
What are the key properties of 2-(pent-4-enylamino)ethanethiol?
2-(pent-4-enylamino)ethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enylamino)ethanethiol is sourced from PubChem (CID 71436009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).