N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide

C15H22N2O3S — CID 81107725

IUPACN-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1(O)CCN(c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)8-10-17(11-9-15)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,12,16,18H,2-3,8-11H2,1H3
InChIKeyHEAZCSLBMDYZGH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds4

About N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide

N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 81107725) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID81107725
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1(O)CCN(c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)8-10-17(11-9-15)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,12,16,18H,2-3,8-11H2,1H3
InChIKeyHEAZCSLBMDYZGH-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
CID 114680950
4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852
tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
CID 163841745
1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
CID 103357771
4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
CID 134237971
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 97253312

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide (CID 81107725) is N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide is CC1(O)CCN(c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is HEAZCSLBMDYZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(18)8-10-17(11-9-15)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,12,16,18H,2-3,8-11H2,1H3.
What are the key properties of N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 81107725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).