N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide

C12H18N2OS — CID 2809368

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide
SMILESS=C(NC1CC2C=CC1C2)N1CCOCC1
InChIInChI=1S/C12H18N2OS/c16-12(14-3-5-15-6-4-14)13-11-8-9-1-2-10(11)7-9/h1-2,9-11H,3-8H2,(H,13,16)
InChIKeyFURIJBKDJCMSHC-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.16
Rot. Bonds1

About N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide

N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide (PubChem CID 2809368) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide
PubChem CID2809368
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide
SMILESS=C(NC1CC2C=CC1C2)N1CCOCC1
InChIInChI=1S/C12H18N2OS/c16-12(14-3-5-15-6-4-14)13-11-8-9-1-2-10(11)7-9/h1-2,9-11H,3-8H2,(H,13,16)
InChIKeyFURIJBKDJCMSHC-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(2-hydroxyethyl)thiourea
CID 20023478
N-bicyclo[2.2.1]hept-5-en-2-yl-N'-(2-hydroxyethyl)thiourea
CID 2826562
N-(2-bicyclo[2.2.1]hept-5-enyl)piperidine-1-carbothioamide
CID 4233369
N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide
CID 134103650
1-(Cyclohex-3-en-1-ylmethyl)-1-(3-morpholin-4-ylpropyl)-3-pentylthiourea
CID 3544308
1-(Cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3572429
1-(Cyclohex-3-en-1-ylmethyl)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea
CID 3581028
1-(Cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 4075972
3-Cycloheptyl-1-(cyclohex-3-en-1-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4133742
1-(Cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 4139364
1-(Cyclohex-3-en-1-ylmethyl)-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
CID 4569761
1-(Cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 4621963

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide (CID 2809368) is N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide is S=C(NC1CC2C=CC1C2)N1CCOCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide?
The InChIKey is FURIJBKDJCMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c16-12(14-3-5-15-6-4-14)13-11-8-9-1-2-10(11)7-9/h1-2,9-11H,3-8H2,(H,13,16).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2809368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).