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

C9H19FN2O2S — CID 86780678

IUPACN-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCF)CCCC1
InChIInChI=1S/C9H19FN2O2S/c10-6-3-7-15(13,14)12-9(8-11)4-1-2-5-9/h12H,1-8,11H2
InChIKeySMUSQGWCMNSRFC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.54
Rot. Bonds6

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

N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide (PubChem CID 86780678) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
PubChem CID86780678
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCF)CCCC1
InChIInChI=1S/C9H19FN2O2S/c10-6-3-7-15(13,14)12-9(8-11)4-1-2-5-9/h12H,1-8,11H2
InChIKeySMUSQGWCMNSRFC-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
CID 86780680
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058673
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067789
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068317
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068461
N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106125472
N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106737843
N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
CID 119981132

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide (CID 86780678) is N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide is NCC1(NS(=O)(=O)CCCF)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is SMUSQGWCMNSRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c10-6-3-7-15(13,14)12-9(8-11)4-1-2-5-9/h12H,1-8,11H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 86780678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).