2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid

C12H22N2O5S — CID 64699977

IUPAC2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C12H22N2O5S/c15-11(16)10-12(4-2-1-3-5-12)13-20(17,18)14-6-8-19-9-7-14/h13H,1-10H2,(H,15,16)
InChIKeyDUBVDOKAKUNPEV-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.33
Rot. Bonds5

About 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid

2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid (PubChem CID 64699977) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
PubChem CID64699977
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C12H22N2O5S/c15-11(16)10-12(4-2-1-3-5-12)13-20(17,18)14-6-8-19-9-7-14/h13H,1-10H2,(H,15,16)
InChIKeyDUBVDOKAKUNPEV-UHFFFAOYSA-N
XLogP0.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
CID 28940608
N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
CID 114297103
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid (CID 64699977) is 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NS(=O)(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid?
The InChIKey is DUBVDOKAKUNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-11(16)10-12(4-2-1-3-5-12)13-20(17,18)14-6-8-19-9-7-14/h13H,1-10H2,(H,15,16).
What are the key properties of 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid?
2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid has a molecular weight of 306.38 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64699977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).