2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid

C11H22N2O4S — CID 114806690

IUPAC2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-8(2)12-18(16,17)13-10-7-5-3-4-6-9(10)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyBQLPSBFIDMYKHQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.85
Rot. Bonds5

About 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid

2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 114806690) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
PubChem CID114806690
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-8(2)12-18(16,17)13-10-7-5-3-4-6-9(10)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyBQLPSBFIDMYKHQ-UHFFFAOYSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid (CID 114806690) is 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid is CC(C)NS(=O)(=O)NC1CCCCCC1C(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is BQLPSBFIDMYKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(2)12-18(16,17)13-10-7-5-3-4-6-9(10)11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid?
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114806690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).