3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide

C10H20FNO3S — CID 75435990

IUPAC3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCF
InChIInChI=1S/C10H20FNO3S/c1-12(16(14,15)8-4-7-11)9-10(13)5-2-3-6-10/h13H,2-9H2,1H3
InChIKeyCMRQUGZWWGMXSW-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.91
Rot. Bonds6

About 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide

3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 75435990) has the molecular formula C10H20FNO3S and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID75435990
Molecular FormulaC10H20FNO3S
Molecular Weight253.34 g/mol
Exact Mass253.11
IUPAC Name3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCF
InChIInChI=1S/C10H20FNO3S/c1-12(16(14,15)8-4-7-11)9-10(13)5-2-3-6-10/h13H,2-9H2,1H3
InChIKeyCMRQUGZWWGMXSW-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide (CID 75435990) is 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is CMRQUGZWWGMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3S/c1-12(16(14,15)8-4-7-11)9-10(13)5-2-3-6-10/h13H,2-9H2,1H3.
What are the key properties of 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide?
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 253.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 75435990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).