2-cyclohexyl-2-(propylsulfamoylamino)acetic acid

C11H22N2O4S — CID 114805745

IUPAC2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
SMILESCCCNS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-2-8-12-18(16,17)13-10(11(14)15)9-6-4-3-5-7-9/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyCZWQSNAOFCAQBN-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.85
Rot. Bonds7

About 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid

2-cyclohexyl-2-(propylsulfamoylamino)acetic acid (PubChem CID 114805745) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
PubChem CID114805745
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
SMILESCCCNS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-2-8-12-18(16,17)13-10(11(14)15)9-6-4-3-5-7-9/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyCZWQSNAOFCAQBN-UHFFFAOYSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid
CID 114806972
2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
CID 54901825
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
CID 64987369
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid (CID 114805745) is 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid is CCCNS(=O)(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid?
The InChIKey is CZWQSNAOFCAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-8-12-18(16,17)13-10(11(14)15)9-6-4-3-5-7-9/h9-10,12-13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid?
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid has a molecular weight of 278.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(propylsulfamoylamino)acetic acid is sourced from PubChem (CID 114805745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).