cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride

C10H20ClNO2S — CID 87223141

IUPACcyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
SMILESCN[C@@H](CS)C(=O)OC1CCCCC1.Cl
InChIInChI=1S/C10H19NO2S.ClH/c1-11-9(7-14)10(12)13-8-5-3-2-4-6-8;/h8-9,11,14H,2-7H2,1H3;1H/t9-;/m0./s1
InChIKeyMFHFHNFXQXGSGF-FVGYRXGTSA-N
MW253.79 g/mol
LogP1.80
Rot. Bonds4

About cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride

cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride (PubChem CID 87223141) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride.

Molecular Properties

Compound Namecyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
PubChem CID87223141
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Namecyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
SMILESCN[C@@H](CS)C(=O)OC1CCCCC1.Cl
InChIInChI=1S/C10H19NO2S.ClH/c1-11-9(7-14)10(12)13-8-5-3-2-4-6-8;/h8-9,11,14H,2-7H2,1H3;1H/t9-;/m0./s1
InChIKeyMFHFHNFXQXGSGF-FVGYRXGTSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid
CID 141154761
(4,4-dimethylcyclohexyl) (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775776
(3-methoxycyclohexyl) 2-acetamido-3-sulfanylpropanoate
CID 107770067
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride?
The IUPAC name of cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride (CID 87223141) is cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride.
What is the SMILES notation for cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride?
The canonical SMILES for cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride is CN[C@@H](CS)C(=O)OC1CCCCC1.Cl.
What is the InChIKey of cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride?
The InChIKey is MFHFHNFXQXGSGF-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19NO2S.ClH/c1-11-9(7-14)10(12)13-8-5-3-2-4-6-8;/h8-9,11,14H,2-7H2,1H3;1H/t9-;/m0./s1.
What are the key properties of cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride?
cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride has a molecular weight of 253.79 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride is sourced from PubChem (CID 87223141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).