1-(2-methylprop-1-enylamino)ethanethiol

C6H13NS — CID 154518883

IUPAC1-(2-methylprop-1-enylamino)ethanethiol
SMILESCC(C)=CNC(C)S
InChIInChI=1S/C6H13NS/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3
InChIKeyNPUTZJFZTGCYNH-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.78
Rot. Bonds2

About 1-(2-methylprop-1-enylamino)ethanethiol

1-(2-methylprop-1-enylamino)ethanethiol (PubChem CID 154518883) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-(2-methylprop-1-enylamino)ethanethiol.

Molecular Properties

Compound Name1-(2-methylprop-1-enylamino)ethanethiol
PubChem CID154518883
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-(2-methylprop-1-enylamino)ethanethiol
SMILESCC(C)=CNC(C)S
InChIInChI=1S/C6H13NS/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3
InChIKeyNPUTZJFZTGCYNH-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(Ethylamino)prop-2-ene-1-thiol
CID 60070939
(Z)-1-(methylamino)prop-1-ene-2-thiol
CID 88871631
2-(Propa-1,2-dienylamino)ethanethiol
CID 118478895
2-Methyl-1-(methylamino)prop-2-ene-1-thiol
CID 138664347
(Z)-2-[[(Z)-2-aminoethenyl]amino]ethenethiol;2-methylprop-1-ene
CID 141768017
(E)-1-(propylamino)prop-1-ene-2-thiol
CID 146333515
Ethane;1-(2-methylprop-1-enylamino)ethanethiol
CID 156752003
2-[[(E)-prop-1-enyl]amino]ethanethiol
CID 163624346
2-(2-Methylprop-1-enylamino)ethanethiol
CID 101605956
1-[[(1E)-2,3-dimethylbuta-1,3-dienyl]amino]ethanethiol
CID 176957504
2-(2-Methylprop-1-enylazaniumyl)ethanethiolate
CID 177430750

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enylamino)ethanethiol?
The IUPAC name of 1-(2-methylprop-1-enylamino)ethanethiol (CID 154518883) is 1-(2-methylprop-1-enylamino)ethanethiol.
What is the SMILES notation for 1-(2-methylprop-1-enylamino)ethanethiol?
The canonical SMILES for 1-(2-methylprop-1-enylamino)ethanethiol is CC(C)=CNC(C)S.
What is the InChIKey of 1-(2-methylprop-1-enylamino)ethanethiol?
The InChIKey is NPUTZJFZTGCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)4-7-6(3)8/h4,6-8H,1-3H3.
What are the key properties of 1-(2-methylprop-1-enylamino)ethanethiol?
1-(2-methylprop-1-enylamino)ethanethiol has a molecular weight of 131.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enylamino)ethanethiol is sourced from PubChem (CID 154518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).