N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide

C21H29N3O2S — CID 56918189

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
SMILESCC(C)Cc1ccc(CN2CCCC(NS(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C21H29N3O2S/c1-17(2)13-18-7-9-19(10-8-18)15-24-12-4-5-20(16-24)23-27(25,26)21-6-3-11-22-14-21/h3,6-11,14,17,20,23H,4-5,12-13,15-16H2,1-2H3
InChIKeyRZHSAIUKKPVXHL-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.22
Rot. Bonds7

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 56918189) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
PubChem CID56918189
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
SMILESCC(C)Cc1ccc(CN2CCCC(NS(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C21H29N3O2S/c1-17(2)13-18-7-9-19(10-8-18)15-24-12-4-5-20(16-24)23-27(25,26)21-6-3-11-22-14-21/h3,6-11,14,17,20,23H,4-5,12-13,15-16H2,1-2H3
InChIKeyRZHSAIUKKPVXHL-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
CID 142312090
(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 92664819
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097329
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide (CID 56918189) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide is CC(C)Cc1ccc(CN2CCCC(NS(=O)(=O)c3cccnc3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is RZHSAIUKKPVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-17(2)13-18-7-9-19(10-8-18)15-24-12-4-5-20(16-24)23-27(25,26)21-6-3-11-22-14-21/h3,6-11,14,17,20,23H,4-5,12-13,15-16H2,1-2H3.
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 387.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 56918189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).