(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide

C9H22N2O3S — CID 146627108

IUPAC(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(N)=O.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H11NOS/c1-3(2)4(6)5(7)8;1-4(2,3)7(5)6/h3-4H,6H2,1-2H3,(H,7,8);5H2,1-3H3/t4-;/m0./s1
InChIKeyZJJQOIVVOFZCSR-WCCKRBBISA-N
MW238.35 g/mol
LogP0.46
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide

(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide (PubChem CID 146627108) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide
PubChem CID146627108
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(N)=O.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H11NOS/c1-3(2)4(6)5(7)8;1-4(2,3)7(5)6/h3-4H,6H2,1-2H3,(H,7,8);5H2,1-3H3/t4-;/m0./s1
InChIKeyZJJQOIVVOFZCSR-WCCKRBBISA-N
XLogP0.46
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide (CID 146627108) is (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide is CC(C)(C)S(N)=O.CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide?
The InChIKey is ZJJQOIVVOFZCSR-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H11NOS/c1-3(2)4(6)5(7)8;1-4(2,3)7(5)6/h3-4H,6H2,1-2H3,(H,7,8);5H2,1-3H3/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide?
(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide has a molecular weight of 238.35 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146627108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).