N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide

C17H22N2O3S2 — CID 114132627

IUPACN-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccsc1CO
InChIInChI=1S/C17H22N2O3S2/c20-13-16-17(8-11-23-16)24(21,22)18-15-6-9-19(10-7-15)12-14-4-2-1-3-5-14/h1-5,8,11,15,18,20H,6-7,9-10,12-13H2
InChIKeyBZPWPDOANFBFDN-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.18
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide

N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 114132627) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID114132627
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccsc1CO
InChIInChI=1S/C17H22N2O3S2/c20-13-16-17(8-11-23-16)24(21,22)18-15-6-9-19(10-7-15)12-14-4-2-1-3-5-14/h1-5,8,11,15,18,20H,6-7,9-10,12-13H2
InChIKeyBZPWPDOANFBFDN-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 114132627) is N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccsc1CO.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is BZPWPDOANFBFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c20-13-16-17(8-11-23-16)24(21,22)18-15-6-9-19(10-7-15)12-14-4-2-1-3-5-14/h1-5,8,11,15,18,20H,6-7,9-10,12-13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114132627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).