2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid

C11H19N5O5S — CID 134354846

IUPAC2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
SMILESNC1(c2noc(CNS(=O)(=O)NCC(=O)O)n2)CCCCC1
InChIInChI=1S/C11H19N5O5S/c12-11(4-2-1-3-5-11)10-15-8(21-16-10)6-13-22(19,20)14-7-9(17)18/h13-14H,1-7,12H2,(H,17,18)
InChIKeyJXVCKTPKVXTDOW-UHFFFAOYSA-N
MW333.37 g/mol
LogP-0.80
Rot. Bonds7

About 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid

2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid (PubChem CID 134354846) has the molecular formula C11H19N5O5S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
PubChem CID134354846
Molecular FormulaC11H19N5O5S
Molecular Weight333.37 g/mol
Exact Mass333.11
IUPAC Name2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
SMILESNC1(c2noc(CNS(=O)(=O)NCC(=O)O)n2)CCCCC1
InChIInChI=1S/C11H19N5O5S/c12-11(4-2-1-3-5-11)10-15-8(21-16-10)6-13-22(19,20)14-7-9(17)18/h13-14H,1-7,12H2,(H,17,18)
InChIKeyJXVCKTPKVXTDOW-UHFFFAOYSA-N
XLogP-0.80
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
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1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
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CID 120851636
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-[5-(prop-2-enoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857122
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid?
The IUPAC name of 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid (CID 134354846) is 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid.
What is the SMILES notation for 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid?
The canonical SMILES for 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid is NC1(c2noc(CNS(=O)(=O)NCC(=O)O)n2)CCCCC1.
What is the InChIKey of 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid?
The InChIKey is JXVCKTPKVXTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O5S/c12-11(4-2-1-3-5-11)10-15-8(21-16-10)6-13-22(19,20)14-7-9(17)18/h13-14H,1-7,12H2,(H,17,18).
What are the key properties of 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid?
2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid has a molecular weight of 333.37 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid is sourced from PubChem (CID 134354846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).