1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

C12H22N2O4S — CID 115445369

IUPAC1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-2-3-8-14(10)19(17,18)13-9-12(11(15)16)6-4-7-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyFISHFXZKJLWJOH-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.95
Rot. Bonds5

About 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445369) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445369
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-2-3-8-14(10)19(17,18)13-9-12(11(15)16)6-4-7-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyFISHFXZKJLWJOH-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362844
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120896002
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 113462919
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 115445369) is 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is CC1CCCCN1S(=O)(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is FISHFXZKJLWJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-10-5-2-3-8-14(10)19(17,18)13-9-12(11(15)16)6-4-7-12/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).