N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide

C9H17F3N2O2S — CID 138525563

IUPACN-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)5-6-17(15,16)14-8-3-1-7(13)2-4-8/h7-8,14H,1-6,13H2
InChIKeyHANHCFAFFUKHBW-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.13
Rot. Bonds4

About N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide

N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 138525563) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID138525563
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)5-6-17(15,16)14-8-3-1-7(13)2-4-8/h7-8,14H,1-6,13H2
InChIKeyHANHCFAFFUKHBW-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide (CID 138525563) is N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide is NC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is HANHCFAFFUKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)5-6-17(15,16)14-8-3-1-7(13)2-4-8/h7-8,14H,1-6,13H2.
What are the key properties of N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide?
N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 138525563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).