(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide

C11H22N2O2S — CID 104864648

IUPAC(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-8(2)7-10(12)11(14)13-9-3-5-16(15)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-,16?/m0/s1
InChIKeyGAAICRKBXSUYJH-MAXPVNGDSA-N
MW246.38 g/mol
LogP0.39
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide

(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide (PubChem CID 104864648) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
PubChem CID104864648
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-8(2)7-10(12)11(14)13-9-3-5-16(15)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-,16?/m0/s1
InChIKeyGAAICRKBXSUYJH-MAXPVNGDSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104904016
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-methylpentanamide
CID 43711760
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide (CID 104864648) is (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC1CCS(=O)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide?
The InChIKey is GAAICRKBXSUYJH-MAXPVNGDSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(2)7-10(12)11(14)13-9-3-5-16(15)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-,16?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide has a molecular weight of 246.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide is sourced from PubChem (CID 104864648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).