4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide

C14H30N2O3S — CID 118241891

IUPAC4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
SMILESCCCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)NC(C)C
InChIInChI=1S/C14H30N2O3S/c1-8-9-12(13(17)15-11(2)3)10-14(4,5)16(6)20(7,18)19/h11-12H,8-10H2,1-7H3,(H,15,17)
InChIKeyKTFZZDSXJIAPKT-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.99
Rot. Bonds8

About 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide

4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide (PubChem CID 118241891) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide.

Molecular Properties

Compound Name4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
PubChem CID118241891
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
SMILESCCCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)NC(C)C
InChIInChI=1S/C14H30N2O3S/c1-8-9-12(13(17)15-11(2)3)10-14(4,5)16(6)20(7,18)19/h11-12H,8-10H2,1-7H3,(H,15,17)
InChIKeyKTFZZDSXJIAPKT-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241856
N-methyl-N-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)heptan-2-yl]methanesulfonamide
CID 118241892
N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide
CID 118241872
5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide
CID 135274634
2-methyl-N-propan-2-ylpentanamide
CID 4628268
N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide
CID 158958763
2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylpentanamide
CID 21366377
N-butan-2-yl-2-propylpentanamide
CID 115532227
N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
CID 156566666
2-tert-butyl-N-propan-2-ylhexanamide
CID 21366386
N-butan-2-yl-2-propylhexanamide
CID 173163059
2-[(2-methylsulfonylpropanoylamino)methyl]pentanoic acid
CID 104517676

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide?
The IUPAC name of 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide (CID 118241891) is 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide.
What is the SMILES notation for 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide?
The canonical SMILES for 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide is CCCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)NC(C)C.
What is the InChIKey of 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide?
The InChIKey is KTFZZDSXJIAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-8-9-12(13(17)15-11(2)3)10-14(4,5)16(6)20(7,18)19/h11-12H,8-10H2,1-7H3,(H,15,17).
What are the key properties of 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide?
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide has a molecular weight of 306.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide is sourced from PubChem (CID 118241891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).