1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

C12H21NO4S — CID 115441060

IUPAC1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNS(=O)(=O)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4S/c1-9-4-6-12(7-5-9,11(14)15)8-13-18(16,17)10-2-3-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCHVGGXQPBVCBSJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.35
Rot. Bonds5

About 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115441060) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115441060
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNS(=O)(=O)C2CC2)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4S/c1-9-4-6-12(7-5-9,11(14)15)8-13-18(16,17)10-2-3-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCHVGGXQPBVCBSJ-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
4-methyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114806894
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
4-methyl-1-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441094
4-methyl-1-[[(1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 115441078
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443035

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115441060) is 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNS(=O)(=O)C2CC2)(C(=O)O)CC1.
What is the InChIKey of 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is CHVGGXQPBVCBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-9-4-6-12(7-5-9,11(14)15)8-13-18(16,17)10-2-3-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).