2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

C11H21F3N2O3S — CID 60946029

IUPAC2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H21F3N2O3S/c1-3-4-6-16(8-11(12,13)14)10(17)9(15)5-7-20(2,18)19/h9H,3-8,15H2,1-2H3
InChIKeyRPTDHEQBOHAANW-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.94
Rot. Bonds8

About 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60946029) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60946029
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H21F3N2O3S/c1-3-4-6-16(8-11(12,13)14)10(17)9(15)5-7-20(2,18)19/h9H,3-8,15H2,1-2H3
InChIKeyRPTDHEQBOHAANW-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
2-amino-4-methanesulfonyl-N,N-dimethylbutanamide hydrobromide
CID 42948602
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60946029) is 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RPTDHEQBOHAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-3-4-6-16(8-11(12,13)14)10(17)9(15)5-7-20(2,18)19/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 318.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60946029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).