N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide

C9H19FN2O2S — CID 119970496

IUPACN-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H19FN2O2S/c10-6-1-7-15(13,14)12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,11H2
InChIKeyPRTUGCZKCKVULF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.54
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide

N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide (PubChem CID 119970496) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide
PubChem CID119970496
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H19FN2O2S/c10-6-1-7-15(13,14)12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,11H2
InChIKeyPRTUGCZKCKVULF-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.54
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-fluoropropane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide (CID 119970496) is N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide is NC1CCC(NS(=O)(=O)CCCF)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide?
The InChIKey is PRTUGCZKCKVULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c10-6-1-7-15(13,14)12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,11H2.
What are the key properties of N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide?
N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 119970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).