3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

C10H21F3N2O2S — CID 102913101

IUPAC3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCC(C)C(CNS(=O)(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)9(8(3)4)5-14-18(16,17)15-6-10(11,12)13/h7-9,14-15H,5-6H2,1-4H3
InChIKeyFLVXSZHAMVLZAY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.90
Rot. Bonds7

About 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (PubChem CID 102913101) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
PubChem CID102913101
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC Name3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCC(C)C(CNS(=O)(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)9(8(3)4)5-14-18(16,17)15-6-10(11,12)13/h7-9,14-15H,5-6H2,1-4H3
InChIKeyFLVXSZHAMVLZAY-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,3,3-Pentafluoro-4-methyl-6-(sulfamoylamino)hexane
CID 53640924
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102912988
1,1,1-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102913073
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114150922
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The IUPAC name of 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (CID 102913101) is 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is CC(C)C(CNS(=O)(=O)NCC(F)(F)F)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The InChIKey is FLVXSZHAMVLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-7(2)9(8(3)4)5-14-18(16,17)15-6-10(11,12)13/h7-9,14-15H,5-6H2,1-4H3.
What are the key properties of 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine has a molecular weight of 290.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 102913101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).