(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide

C12H23F3N2O3S — CID 166281932

IUPAC(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NS(=O)(=O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F3N2O3S/c1-8(2)6-9(10(18)16-5)17-21(19,20)7-11(3,4)12(13,14)15/h8-9,17H,6-7H2,1-5H3,(H,16,18)/t9-/m0/s1
InChIKeyPDOQVKLRXAPCGV-VIFPVBQESA-N
MW332.39 g/mol
LogP1.65
Rot. Bonds7

About (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide

(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide (PubChem CID 166281932) has the molecular formula C12H23F3N2O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide
PubChem CID166281932
Molecular FormulaC12H23F3N2O3S
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NS(=O)(=O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F3N2O3S/c1-8(2)6-9(10(18)16-5)17-21(19,20)7-11(3,4)12(13,14)15/h8-9,17H,6-7H2,1-5H3,(H,16,18)/t9-/m0/s1
InChIKeyPDOQVKLRXAPCGV-VIFPVBQESA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
CID 122069291
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 60859368
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584

Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide (CID 166281932) is (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide is CNC(=O)[C@H](CC(C)C)NS(=O)(=O)CC(C)(C)C(F)(F)F.
What is the InChIKey of (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide?
The InChIKey is PDOQVKLRXAPCGV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23F3N2O3S/c1-8(2)6-9(10(18)16-5)17-21(19,20)7-11(3,4)12(13,14)15/h8-9,17H,6-7H2,1-5H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide?
(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide has a molecular weight of 332.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide is sourced from PubChem (CID 166281932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).