1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid

C14H26N2O4S — CID 43163334

IUPAC1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCCC2)CC1
InChIInChI=1S/C14H26N2O4S/c1-12-6-10-16(11-7-12)21(19,20)15-14(13(17)18)8-4-2-3-5-9-14/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyJKYRJAPOWPPOPZ-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.73
Rot. Bonds4

About 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid

1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid (PubChem CID 43163334) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
PubChem CID43163334
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCCC2)CC1
InChIInChI=1S/C14H26N2O4S/c1-12-6-10-16(11-7-12)21(19,20)15-14(13(17)18)8-4-2-3-5-9-14/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyJKYRJAPOWPPOPZ-UHFFFAOYSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 43053414
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
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1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
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methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid (CID 43163334) is 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid is CC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCCC2)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid?
The InChIKey is JKYRJAPOWPPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-12-6-10-16(11-7-12)21(19,20)15-14(13(17)18)8-4-2-3-5-9-14/h12,15H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid?
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid has a molecular weight of 318.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43163334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).