N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide

C18H29N3O2S — CID 55682031

IUPACN-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O2S/c1-16-8-5-6-13-21(16)24(22,23)19-18-11-7-12-20(15-18)14-17-9-3-2-4-10-17/h2-4,9-10,16,18-19H,5-8,11-15H2,1H3
InChIKeyHRXWAZCQRLNLKG-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.36
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide

N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 55682031) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID55682031
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O2S/c1-16-8-5-6-13-21(16)24(22,23)19-18-11-7-12-20(15-18)14-17-9-3-2-4-10-17/h2-4,9-10,16,18-19H,5-8,11-15H2,1H3
InChIKeyHRXWAZCQRLNLKG-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
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(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
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1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
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N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
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(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
CID 95322188
2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 51099652
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
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CID 115617829

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide (CID 55682031) is N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is HRXWAZCQRLNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-16-8-5-6-13-21(16)24(22,23)19-18-11-7-12-20(15-18)14-17-9-3-2-4-10-17/h2-4,9-10,16,18-19H,5-8,11-15H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide?
N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 55682031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).