(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide

C9H20N2O3S — CID 107570108

IUPAC(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-5-8(10)9(12)11(2)6-7-15(3,13)14/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyFGWLVDVTJFYVHU-QMMMGPOBSA-N
MW236.34 g/mol
LogP-0.38
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide

(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 107570108) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
PubChem CID107570108
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-5-8(10)9(12)11(2)6-7-15(3,13)14/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyFGWLVDVTJFYVHU-QMMMGPOBSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpentanamide
CID 107568202
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide (CID 107570108) is (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide is CCC[C@H](N)C(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is FGWLVDVTJFYVHU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-5-8(10)9(12)11(2)6-7-15(3,13)14/h8H,4-7,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 236.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 107570108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).