N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide

C16H25NO3S — CID 106014654

IUPACN-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NCCCC1CCCC1
InChIInChI=1S/C16H25NO3S/c18-12-15-7-3-8-16(11-15)13-21(19,20)17-10-4-9-14-5-1-2-6-14/h3,7-8,11,14,17-18H,1-2,4-6,9-10,12-13H2
InChIKeyZKWQSPMRCSTBBL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.57
Rot. Bonds8

About N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide

N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 106014654) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID106014654
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NCCCC1CCCC1
InChIInChI=1S/C16H25NO3S/c18-12-15-7-3-8-16(11-15)13-21(19,20)17-10-4-9-14-5-1-2-6-14/h3,7-8,11,14,17-18H,1-2,4-6,9-10,12-13H2
InChIKeyZKWQSPMRCSTBBL-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
CID 38335818
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 113464374
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
1-[3-(hydroxymethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106022671
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
3-(3-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499122
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 75387120
N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 106014648
1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
CID 131913148
3-(cyclohexylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61000252
N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106001921

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide (CID 106014654) is N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1cccc(CO)c1)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is ZKWQSPMRCSTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c18-12-15-7-3-8-16(11-15)13-21(19,20)17-10-4-9-14-5-1-2-6-14/h3,7-8,11,14,17-18H,1-2,4-6,9-10,12-13H2.
What are the key properties of N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide?
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106014654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).