1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide

C13H19NO3S — CID 113464374

IUPAC1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
SMILESCC1CC1CNS(=O)(=O)Cc1cccc(CO)c1
InChIInChI=1S/C13H19NO3S/c1-10-5-13(10)7-14-18(16,17)9-12-4-2-3-11(6-12)8-15/h2-4,6,10,13-15H,5,7-9H2,1H3
InChIKeyOCYRHYRFKLFGBR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.25
Rot. Bonds6

About 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide

1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide (PubChem CID 113464374) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
PubChem CID113464374
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
SMILESCC1CC1CNS(=O)(=O)Cc1cccc(CO)c1
InChIInChI=1S/C13H19NO3S/c1-10-5-13(10)7-14-18(16,17)9-12-4-2-3-11(6-12)8-15/h2-4,6,10,13-15H,5,7-9H2,1H3
InChIKeyOCYRHYRFKLFGBR-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106022671
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
CID 130874904
3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
CID 107416749
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106001921
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327845
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide (CID 113464374) is 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide is CC1CC1CNS(=O)(=O)Cc1cccc(CO)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is OCYRHYRFKLFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-5-13(10)7-14-18(16,17)9-12-4-2-3-11(6-12)8-15/h2-4,6,10,13-15H,5,7-9H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 113464374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).