N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H24N2OS — CID 61366521

IUPACN-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CC3CCC2C3)CCCCC1
InChIInChI=1S/C15H24N2OS/c16-14(19)15(6-2-1-3-7-15)17-13(18)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H2,16,19)(H,17,18)
InChIKeyXIZZBMPUDILLEE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.53
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61366521) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61366521
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CC3CCC2C3)CCCCC1
InChIInChI=1S/C15H24N2OS/c16-14(19)15(6-2-1-3-7-15)17-13(18)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H2,16,19)(H,17,18)
InChIKeyXIZZBMPUDILLEE-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64867434
N-(1-carbamothioylcyclohexyl)thiane-2-carboxamide
CID 80593957
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
CID 62212995
N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
CID 62213540
N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43595645
1-(1-carbamothioylcyclooctyl)-3-cyclohexylurea
CID 61122181
2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
CID 130494486
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314259
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 61366521) is N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide is NC(=S)C1(NC(=O)C2CC3CCC2C3)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XIZZBMPUDILLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-14(19)15(6-2-1-3-7-15)17-13(18)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61366521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).