2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

C10H19F3N2O4S — CID 103755898

IUPAC2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-6(2)4-7(15-20(3,18)19)9(17)14-5-8(16)10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyOAVMKJNSQSDFSD-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.01
Rot. Bonds7

About 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (PubChem CID 103755898) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
PubChem CID103755898
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Name2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-6(2)4-7(15-20(3,18)19)9(17)14-5-8(16)10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyOAVMKJNSQSDFSD-UHFFFAOYSA-N
XLogP-0.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 103840129
methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
CID 63900664

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (CID 103755898) is 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The InChIKey is OAVMKJNSQSDFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-6(2)4-7(15-20(3,18)19)9(17)14-5-8(16)10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide has a molecular weight of 320.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is sourced from PubChem (CID 103755898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).