N-cyclobutyl-1,1,1-trifluoromethanesulfonamide

C5H8F3NO2S — CID 23208885

IUPACN-cyclobutyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-4-2-1-3-4/h4,9H,1-3H2
InChIKeyNVFAAKQLHZUPEP-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.98
Rot. Bonds2

About N-cyclobutyl-1,1,1-trifluoromethanesulfonamide

N-cyclobutyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 23208885) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is N-cyclobutyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-1,1,1-trifluoromethanesulfonamide
PubChem CID23208885
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC NameN-cyclobutyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-4-2-1-3-4/h4,9H,1-3H2
InChIKeyNVFAAKQLHZUPEP-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
1,1,1-trifluoro-N-pentan-2-ylmethanesulfonamide
CID 87844438
molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 145044077
N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide
CID 155136315
lithium N-(3,3-difluorocyclobutyl)sulfamate
CID 156663409

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-cyclobutyl-1,1,1-trifluoromethanesulfonamide (CID 23208885) is N-cyclobutyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-cyclobutyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-cyclobutyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCC1)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NVFAAKQLHZUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-4-2-1-3-4/h4,9H,1-3H2.
What are the key properties of N-cyclobutyl-1,1,1-trifluoromethanesulfonamide?
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 203.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 23208885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).