(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide

C10H22N2O3S — CID 79551034

IUPAC(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)8(11)9(13)12-6-10(3,4)16(5,14)15/h7-8H,6,11H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyXUMDBEVEUSUTMZ-QMMMGPOBSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide

(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide (PubChem CID 79551034) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
PubChem CID79551034
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)8(11)9(13)12-6-10(3,4)16(5,14)15/h7-8H,6,11H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyXUMDBEVEUSUTMZ-QMMMGPOBSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
CID 107032215
2-bromo-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79563378
2-carbamothioyl-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79550769
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide (CID 79551034) is (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide is CC(C)[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
The InChIKey is XUMDBEVEUSUTMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-7(2)8(11)9(13)12-6-10(3,4)16(5,14)15/h7-8H,6,11H2,1-5H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide is sourced from PubChem (CID 79551034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).