1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane

C10H22F3N3O2S — CID 114803901

IUPAC1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H22F3N3O2S/c1-4-6-16(9(3,5-2)7-14)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3
InChIKeyRWXDNCAQQAQVCU-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.22
Rot. Bonds8

About 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane

1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane (PubChem CID 114803901) has the molecular formula C10H22F3N3O2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane.

Molecular Properties

Compound Name1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
PubChem CID114803901
Molecular FormulaC10H22F3N3O2S
Molecular Weight305.37 g/mol
Exact Mass305.14
IUPAC Name1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H22F3N3O2S/c1-4-6-16(9(3,5-2)7-14)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3
InChIKeyRWXDNCAQQAQVCU-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
CID 62009247
1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114812748
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
CID 62008250
2-amino-2-methyl-1-[[methyl(propyl)sulfamoyl]amino]propane;hydrochloride
CID 119988007
N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-1-sulfonamide
CID 62009447
3-amino-3-[[[methyl(propyl)sulfamoyl]amino]methyl]pentane;hydrochloride
CID 119989719
1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114810983
2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
CID 62010456
1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
CID 114803760
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 114803859

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The IUPAC name of 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane (CID 114803901) is 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane.
What is the SMILES notation for 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The canonical SMILES for 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane is CCCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The InChIKey is RWXDNCAQQAQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F3N3O2S/c1-4-6-16(9(3,5-2)7-14)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane has a molecular weight of 305.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane is sourced from PubChem (CID 114803901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).