1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide

C8H15F3N2O2S — CID 106217437

IUPAC1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyUHRYXJKNYJVMQQ-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.74
Rot. Bonds5

About 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide

1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide (PubChem CID 106217437) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide
PubChem CID106217437
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyUHRYXJKNYJVMQQ-UHFFFAOYSA-N
XLogP0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(2,2-difluorocyclopropyl)propane-2-sulfonamide
CID 170176065
1-amino-N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 65554862
1-amino-N-(3,3,3-trifluoropropyl)butane-2-sulfonamide
CID 65571308
N-(2-amino-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058658
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059282
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067790
N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067940
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068828
N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
CID 100744465

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide?
The IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide (CID 106217437) is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide is CCC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide?
The InChIKey is UHRYXJKNYJVMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-5,12H2,1H3.
What are the key properties of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide?
1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide is sourced from PubChem (CID 106217437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).