N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide

C9H19FN2O2S — CID 119985469

IUPACN-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S/c10-5-2-6-15(13,14)12-9-4-1-3-8(9)7-11/h8-9,12H,1-7,11H2
InChIKeyKEJQYINPDXFWQW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.39
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide

N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide (PubChem CID 119985469) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
PubChem CID119985469
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S/c10-5-2-6-15(13,14)12-9-4-1-3-8(9)7-11/h8-9,12H,1-7,11H2
InChIKeyKEJQYINPDXFWQW-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide (CID 119985469) is N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide is NCC1CCCC1NS(=O)(=O)CCCF.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is KEJQYINPDXFWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c10-5-2-6-15(13,14)12-9-4-1-3-8(9)7-11/h8-9,12H,1-7,11H2.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 119985469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).