N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride

C14H30ClN3O3S — CID 120896002

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)N2CCCCC2C)CCNCC1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-13-5-3-4-10-17(13)21(18,19)16-11-14(12-20-2)6-8-15-9-7-14;/h13,15-16H,3-12H2,1-2H3;1H
InChIKeyWFJNADCZBYNHQE-UHFFFAOYSA-N
MW355.93 g/mol
LogP1.13
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 120896002) has the molecular formula C14H30ClN3O3S and a molecular weight of 355.93 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID120896002
Molecular FormulaC14H30ClN3O3S
Molecular Weight355.93 g/mol
Exact Mass355.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)N2CCCCC2C)CCNCC1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-13-5-3-4-10-17(13)21(18,19)16-11-14(12-20-2)6-8-15-9-7-14;/h13,15-16H,3-12H2,1-2H3;1H
InChIKeyWFJNADCZBYNHQE-UHFFFAOYSA-N
XLogP1.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 120896083
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
CID 120896370
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
1,1-dicyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanamine
CID 114042125

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride (CID 120896002) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)N2CCCCC2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is WFJNADCZBYNHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S.ClH/c1-13-5-3-4-10-17(13)21(18,19)16-11-14(12-20-2)6-8-15-9-7-14;/h13,15-16H,3-12H2,1-2H3;1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120896002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).