N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

C13H26ClN3O3S — CID 119288828

IUPACN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-20(18,19)15-9-11-5-4-8-16(10-11)13(17)12-6-2-3-7-14-12;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyNHBRBNFFJKQPDH-UHFFFAOYSA-N
MW339.89 g/mol
LogP0.34
Rot. Bonds4

About N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119288828) has the molecular formula C13H26ClN3O3S and a molecular weight of 339.89 g/mol. Its IUPAC name is N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119288828
Molecular FormulaC13H26ClN3O3S
Molecular Weight339.89 g/mol
Exact Mass339.14
IUPAC NameN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-20(18,19)15-9-11-5-4-8-16(10-11)13(17)12-6-2-3-7-14-12;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyNHBRBNFFJKQPDH-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466

Frequently Asked Questions

What is the IUPAC name of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 119288828) is N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCCN(C(=O)C2CCCCN2)C1.Cl.
What is the InChIKey of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is NHBRBNFFJKQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S.ClH/c1-20(18,19)15-9-11-5-4-8-16(10-11)13(17)12-6-2-3-7-14-12;/h11-12,14-15H,2-10H2,1H3;1H.
What are the key properties of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119288828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).