2-(pent-2-en-2-ylamino)ethanethiol

C7H15NS — CID 166969462

IUPAC2-(pent-2-en-2-ylamino)ethanethiol
SMILESCCC=C(C)NCCS
InChIInChI=1S/C7H15NS/c1-3-4-7(2)8-5-6-9/h4,8-9H,3,5-6H2,1-2H3
InChIKeyLHTBLLNYLOZWHP-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.82
Rot. Bonds4

About 2-(pent-2-en-2-ylamino)ethanethiol

2-(pent-2-en-2-ylamino)ethanethiol (PubChem CID 166969462) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(pent-2-en-2-ylamino)ethanethiol.

Molecular Properties

Compound Name2-(pent-2-en-2-ylamino)ethanethiol
PubChem CID166969462
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(pent-2-en-2-ylamino)ethanethiol
SMILESCCC=C(C)NCCS
InChIInChI=1S/C7H15NS/c1-3-4-7(2)8-5-6-9/h4,8-9H,3,5-6H2,1-2H3
InChIKeyLHTBLLNYLOZWHP-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-ethylamino-pent-3-ene-2-thione
CID 14197075
(6-Methyl-1,4-dihydropyridin-2-yl)methanethiol
CID 19831169
1,4-Dihydropyridin-2-ylmethanethiol
CID 19831200
2-(Methylsulfanylmethyl)-1,4-dihydropyridine
CID 70065395
4-(Ethylamino)pent-3-ene-2-thione
CID 72728390
4-(Methylamino)pent-3-ene-2-thione
CID 76224222
(Z)-4-(methylamino)pent-3-ene-2-thione
CID 87477442
(Z)-4-(propan-2-ylamino)pent-3-ene-2-thione
CID 87477693
4-(Propan-2-ylamino)pent-3-ene-2-thione
CID 87477694
(Z)-2-(ethylamino)but-1-ene-1-thiol
CID 89196747
(Z)-2-(ethylamino)prop-1-ene-1-thiol
CID 89276863
2,6-Dimethyl-1,2-dihydropyridine-4-thiol
CID 126728250

Frequently Asked Questions

What is the IUPAC name of 2-(pent-2-en-2-ylamino)ethanethiol?
The IUPAC name of 2-(pent-2-en-2-ylamino)ethanethiol (CID 166969462) is 2-(pent-2-en-2-ylamino)ethanethiol.
What is the SMILES notation for 2-(pent-2-en-2-ylamino)ethanethiol?
The canonical SMILES for 2-(pent-2-en-2-ylamino)ethanethiol is CCC=C(C)NCCS.
What is the InChIKey of 2-(pent-2-en-2-ylamino)ethanethiol?
The InChIKey is LHTBLLNYLOZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-4-7(2)8-5-6-9/h4,8-9H,3,5-6H2,1-2H3.
What are the key properties of 2-(pent-2-en-2-ylamino)ethanethiol?
2-(pent-2-en-2-ylamino)ethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-2-en-2-ylamino)ethanethiol is sourced from PubChem (CID 166969462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).