2-(aminomethyl)butane-1-thiol;hydrochloride

C5H14ClNS — CID 155665114

IUPAC2-(aminomethyl)butane-1-thiol;hydrochloride
SMILESCCC(CN)CS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-2-5(3-6)4-7;/h5,7H,2-4,6H2,1H3;1H
InChIKeyDWEZYLPQXKKGJC-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.32
Rot. Bonds3

About 2-(aminomethyl)butane-1-thiol;hydrochloride

2-(aminomethyl)butane-1-thiol;hydrochloride (PubChem CID 155665114) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 2-(aminomethyl)butane-1-thiol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)butane-1-thiol;hydrochloride
PubChem CID155665114
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name2-(aminomethyl)butane-1-thiol;hydrochloride
SMILESCCC(CN)CS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-2-5(3-6)4-7;/h5,7H,2-4,6H2,1H3;1H
InChIKeyDWEZYLPQXKKGJC-UHFFFAOYSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.32
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

2-ethylpropane-1,3-diamine
CID 14499053
3-amino-2-(aminomethyl)propane-1-thiol
CID 11535553
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
ethane;2-ethylbutane-1-thiol
CID 143165369
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-ethyloctane-1,8-dithiol
CID 122629942
(2R)-3-amino-2-methylpropane-1-thiol
CID 92974818
(2S)-2-ethylhexan-1-amine
CID 6999997
2-(trimethylsilylmethyl)butan-1-amine
CID 106323031
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
2-ethylhexan-1-amine;hydrate
CID 173045208

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)butane-1-thiol;hydrochloride?
The IUPAC name of 2-(aminomethyl)butane-1-thiol;hydrochloride (CID 155665114) is 2-(aminomethyl)butane-1-thiol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)butane-1-thiol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)butane-1-thiol;hydrochloride is CCC(CN)CS.Cl.
What is the InChIKey of 2-(aminomethyl)butane-1-thiol;hydrochloride?
The InChIKey is DWEZYLPQXKKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-2-5(3-6)4-7;/h5,7H,2-4,6H2,1H3;1H.
What are the key properties of 2-(aminomethyl)butane-1-thiol;hydrochloride?
2-(aminomethyl)butane-1-thiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)butane-1-thiol;hydrochloride is sourced from PubChem (CID 155665114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).