[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine

C11H22N2O2S — CID 166832894

IUPAC[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine
SMILESNCC1CCC(N=S2(=O)CCOCC2)CC1
InChIInChI=1S/C11H22N2O2S/c12-9-10-1-3-11(4-2-10)13-16(14)7-5-15-6-8-16/h10-11H,1-9,12H2
InChIKeyGOKVKNMRZYYKQU-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.00
Rot. Bonds2

About [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine

[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine (PubChem CID 166832894) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine
PubChem CID166832894
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine
SMILESNCC1CCC(N=S2(=O)CCOCC2)CC1
InChIInChI=1S/C11H22N2O2S/c12-9-10-1-3-11(4-2-10)13-16(14)7-5-15-6-8-16/h10-11H,1-9,12H2
InChIKeyGOKVKNMRZYYKQU-UHFFFAOYSA-N
XLogP1.00
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine?
The IUPAC name of [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine (CID 166832894) is [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine?
The canonical SMILES for [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine is NCC1CCC(N=S2(=O)CCOCC2)CC1.
What is the InChIKey of [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine?
The InChIKey is GOKVKNMRZYYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-9-10-1-3-11(4-2-10)13-16(14)7-5-15-6-8-16/h10-11H,1-9,12H2.
What are the key properties of [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine?
[4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-oxo-1,4-oxathian-4-ylidene)amino]cyclohexyl]methanamine is sourced from PubChem (CID 166832894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).