N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide

C15H21NO4S — CID 106001921

IUPACN-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NC1CCOC1C1CC1
InChIInChI=1S/C15H21NO4S/c17-9-11-2-1-3-12(8-11)10-21(18,19)16-14-6-7-20-15(14)13-4-5-13/h1-3,8,13-17H,4-7,9-10H2
InChIKeyOMZKYHDMCMKQKL-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.17
Rot. Bonds6

About N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide

N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 106001921) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID106001921
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NC1CCOC1C1CC1
InChIInChI=1S/C15H21NO4S/c17-9-11-2-1-3-12(8-11)10-21(18,19)16-14-6-7-20-15(14)13-4-5-13/h1-3,8,13-17H,4-7,9-10H2
InChIKeyOMZKYHDMCMKQKL-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
3-[(2-methyloxolan-3-yl)sulfamoylmethyl]benzoic acid
CID 82725233
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 113464374
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(hydroxymethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106022671
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816835
1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
CID 55033603

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide (CID 106001921) is N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1cccc(CO)c1)NC1CCOC1C1CC1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is OMZKYHDMCMKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-9-11-2-1-3-12(8-11)10-21(18,19)16-14-6-7-20-15(14)13-4-5-13/h1-3,8,13-17H,4-7,9-10H2.
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106001921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).