4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

C13H24N2O5S — CID 63858507

IUPAC4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CCC(C(=O)O)CC1)NS(C)(=O)=O
InChIInChI=1S/C13H24N2O5S/c1-13(2,15-21(3,19)20)8-14-11(16)9-4-6-10(7-5-9)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyTVNGWCGSNGCSKV-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.32
Rot. Bonds6

About 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63858507) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63858507
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CCC(C(=O)O)CC1)NS(C)(=O)=O
InChIInChI=1S/C13H24N2O5S/c1-13(2,15-21(3,19)20)8-14-11(16)9-4-6-10(7-5-9)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyTVNGWCGSNGCSKV-UHFFFAOYSA-N
XLogP0.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)-2-methylpropyl]-2-methylpiperidine-4-carboxamide
CID 106740092
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63860599
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77008814
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858835
N-[2-(methanesulfonamido)-2-methylpropyl]-5-oxopiperazine-2-carboxamide
CID 107436596
4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673517
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071
2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
CID 63858308

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 63858507) is 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is CC(C)(CNC(=O)C1CCC(C(=O)O)CC1)NS(C)(=O)=O.
What is the InChIKey of 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is TVNGWCGSNGCSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-13(2,15-21(3,19)20)8-14-11(16)9-4-6-10(7-5-9)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63858507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).