2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide

C10H22N2O3S — CID 64644161

IUPAC2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)11-10(13)9(4)12-8(3)6-16(5,14)15/h7-9,12H,6H2,1-5H3,(H,11,13)
InChIKeyJKDIIZBRMHUNAY-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.08
Rot. Bonds6

About 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide

2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide (PubChem CID 64644161) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide
PubChem CID64644161
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-7(2)11-10(13)9(4)12-8(3)6-16(5,14)15/h7-9,12H,6H2,1-5H3,(H,11,13)
InChIKeyJKDIIZBRMHUNAY-UHFFFAOYSA-N
XLogP-0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(1-methylsulfonylpropan-2-ylamino)propanamide
CID 64631810
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
2-bromo-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64630189
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
N-[(1S)-1-cyclopentylethyl]-1-methylsulfonylpropan-2-amine
CID 81385766

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide (CID 64644161) is 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC(C)CS(C)(=O)=O.
What is the InChIKey of 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide?
The InChIKey is JKDIIZBRMHUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-7(2)11-10(13)9(4)12-8(3)6-16(5,14)15/h7-9,12H,6H2,1-5H3,(H,11,13).
What are the key properties of 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide?
2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide has a molecular weight of 250.36 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 64644161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).