3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

C11H24N2O3S — CID 113137000

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-10(4)13(17(5,15)16)8-7-11(14)12-9(2)3/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyMXPBHGRFARGXBA-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.96
Rot. Bonds7

About 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113137000) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
PubChem CID113137000
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-10(4)13(17(5,15)16)8-7-11(14)12-9(2)3/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyMXPBHGRFARGXBA-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide
CID 103733105
N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 164995161
N-ethyl-2-(methanesulfonamido)butanamide
CID 20646793
N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 23516077
N-butyl-3-(methanesulfonamido)propanamide
CID 23563470
N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464345
2-methyl-N-(propan-2-ylsulfamoylmethyl)propanamide
CID 57749632
N-propan-2-yl-2-(propan-2-ylsulfamoyl)acetamide
CID 57749737
N-propan-2-yl-4-(propan-2-ylsulfonylamino)butanamide
CID 57998660
(2R)-2-(aminomethyl)-4-methyl-1-methylsulfonyl-1,4-diazepan-5-one
CID 58093312
(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
CID 58709520

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (CID 113137000) is 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is CCC(C)N(CCC(=O)NC(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is MXPBHGRFARGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-10(4)13(17(5,15)16)8-7-11(14)12-9(2)3/h9-10H,6-8H2,1-5H3,(H,12,14).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113137000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).