2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid

C13H26N2O4S — CID 114814504

IUPAC2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
SMILESCC(C)CNS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-11(2)9-14-20(18,19)15-10-13(8-12(16)17)6-4-3-5-7-13/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyXGXJQJSILLCNAS-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.49
Rot. Bonds8

About 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid

2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid (PubChem CID 114814504) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
PubChem CID114814504
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
SMILESCC(C)CNS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-11(2)9-14-20(18,19)15-10-13(8-12(16)17)6-4-3-5-7-13/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyXGXJQJSILLCNAS-UHFFFAOYSA-N
XLogP1.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[(2R)-4-methyl-3-oxopentan-2-yl]oxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 66863907
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid (CID 114814504) is 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid is CC(C)CNS(=O)(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is XGXJQJSILLCNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-11(2)9-14-20(18,19)15-10-13(8-12(16)17)6-4-3-5-7-13/h11,14-15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 306.43 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 114814504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).