N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide

C12H18N2O3S — CID 115071289

IUPACN-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCc1ccccc1O
InChIInChI=1S/C12H18N2O3S/c15-12-6-2-1-4-10(12)8-14-18(16,17)9-11-5-3-7-13-11/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeySXUBXNAVHRIGOS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide

N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 115071289) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID115071289
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCc1ccccc1O
InChIInChI=1S/C12H18N2O3S/c15-12-6-2-1-4-10(12)8-14-18(16,17)9-11-5-3-7-13-11/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeySXUBXNAVHRIGOS-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 115071274
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 115071289) is N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)NCc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is SXUBXNAVHRIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12-6-2-1-4-10(12)8-14-18(16,17)9-11-5-3-7-13-11/h1-2,4,6,11,13-15H,3,5,7-9H2.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 115071289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).