(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride

C6H16ClNS — CID 52948623

IUPAC(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride
SMILESCC(C)C[C@H](N)CS.Cl
InChIInChI=1S/C6H15NS.ClH/c1-5(2)3-6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t6-;/m0./s1
InChIKeyWOANORTVYRXLCZ-RGMNGODLSA-N
MW169.72 g/mol
LogP1.71
Rot. Bonds3

About (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride

(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride (PubChem CID 52948623) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride
PubChem CID52948623
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Name(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride
SMILESCC(C)C[C@H](N)CS.Cl
InChIInChI=1S/C6H15NS.ClH/c1-5(2)3-6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t6-;/m0./s1
InChIKeyWOANORTVYRXLCZ-RGMNGODLSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 51.71
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

Leucinthiol
CID 139311
Bis(1-thio-2-amino-4-methylpentane)
CID 196663
2-Amino-4-methylpentane-1-thiol
CID 3861
(2R)-2-amino-4-methylpentane-1-thiol
CID 22866642
Lopac-L-8397
CID 196664
4-Methyl-2-(methylamino)pentane-1-thiol
CID 15159720
3-Amino-5-methyl-hexane-2-thiol
CID 44309446
(2S)-2-amino-4-methylpentane-1-thiol;dihydrochloride
CID 90663926
2-Amino-3-methyl-1-butanethiol hydrochloride
CID 521049
2-Amino-3-methylbutane-1-thiol
CID 521050
(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine
CID 6101945
[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride
CID 11435067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride (CID 52948623) is (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride is CC(C)C[C@H](N)CS.Cl.
What is the InChIKey of (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride?
The InChIKey is WOANORTVYRXLCZ-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c1-5(2)3-6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride?
(2S)-2-amino-4-methylpentane-1-thiol;hydrochloride has a molecular weight of 169.72 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentane-1-thiol;hydrochloride is sourced from PubChem (CID 52948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).