(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride

C10H21ClN2OS — CID 119289805

IUPAC(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC1CCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-14-6-5-9(11)10(13)12-7-8-3-2-4-8;/h8-9H,2-7,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyIFWIUGINKBUSCZ-FVGYRXGTSA-N
MW252.81 g/mol
LogP1.40
Rot. Bonds6

About (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119289805) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119289805
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC1CCC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-14-6-5-9(11)10(13)12-7-8-3-2-4-8;/h8-9H,2-7,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyIFWIUGINKBUSCZ-FVGYRXGTSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908284
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2R)-2-[[4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid;hydrochloride
CID 52994209
(2R)-2-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylsulfanylbutanamide
CID 104908311
(2S)-2-[[4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]butanedioic acid;hydrochloride
CID 52994221
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
(2R)-2-amino-4-methylsulfanyl-N-(thiolan-2-ylmethyl)butanamide
CID 104908776
(2S)-1-[4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 11876936
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
(2R)-2-[[4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid;hydrochloride
CID 52994195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119289805) is (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NCC1CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is IFWIUGINKBUSCZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-14-6-5-9(11)10(13)12-7-8-3-2-4-8;/h8-9H,2-7,11H2,1H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119289805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).