2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide

C10H22N2O3S — CID 79858979

IUPAC2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-5-8(2)9(11)10(13)12(3)6-7-16(4,14)15/h8-9H,5-7,11H2,1-4H3
InChIKeyNIWPJWGDRMZGLQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.14
Rot. Bonds6

About 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide

2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 79858979) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
PubChem CID79858979
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-5-8(2)9(11)10(13)12(3)6-7-16(4,14)15/h8-9H,5-7,11H2,1-4H3
InChIKeyNIWPJWGDRMZGLQ-UHFFFAOYSA-N
XLogP-0.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 61179210
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
(2S)-3-methyl-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864611
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide (CID 79858979) is 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide is CCC(C)C(N)C(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is NIWPJWGDRMZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-8(2)9(11)10(13)12(3)6-7-16(4,14)15/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide?
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 250.36 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 79858979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).