4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine

C13H22N2O2S — CID 102168301

IUPAC4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine
SMILESO=[N+]([O-])/C(=C\C1CCCCC1)CN1CCSCC1
InChIInChI=1S/C13H22N2O2S/c16-15(17)13(10-12-4-2-1-3-5-12)11-14-6-8-18-9-7-14/h10,12H,1-9,11H2/b13-10-
InChIKeySUKOAQHCLBVERE-RAXLEYEMSA-N
MW270.40 g/mol
LogP2.78
Rot. Bonds4

About 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine

4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine (PubChem CID 102168301) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine
PubChem CID102168301
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine
SMILESO=[N+]([O-])/C(=C\C1CCCCC1)CN1CCSCC1
InChIInChI=1S/C13H22N2O2S/c16-15(17)13(10-12-4-2-1-3-5-12)11-14-6-8-18-9-7-14/h10,12H,1-9,11H2/b13-10-
InChIKeySUKOAQHCLBVERE-RAXLEYEMSA-N
XLogP2.78
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-nitropent-1-enyl)cyclopentane
CID 76948794
[(E)-2-nitrobut-1-enyl]cyclopropane
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2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
CID 10880132
(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820
1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
CID 872977
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
CID 62613350
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
CID 91620287

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine?
The IUPAC name of 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine (CID 102168301) is 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine.
What is the SMILES notation for 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine?
The canonical SMILES for 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine is O=[N+]([O-])/C(=C\C1CCCCC1)CN1CCSCC1.
What is the InChIKey of 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine?
The InChIKey is SUKOAQHCLBVERE-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-15(17)13(10-12-4-2-1-3-5-12)11-14-6-8-18-9-7-14/h10,12H,1-9,11H2/b13-10-.
What are the key properties of 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine?
4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine has a molecular weight of 270.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine is sourced from PubChem (CID 102168301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).