N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide

C13H20N2OS — CID 114096106

IUPACN-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)C1CSCCN1
InChIInChI=1S/C13H20N2OS/c16-13(9-6-17-4-3-14-9)15-12-10-7-1-2-8(5-7)11(10)12/h7-12,14H,1-6H2,(H,15,16)
InChIKeyVEPVCOOQKZRAHN-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.85
Rot. Bonds2

About N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide

N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide (PubChem CID 114096106) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
PubChem CID114096106
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)C1CSCCN1
InChIInChI=1S/C13H20N2OS/c16-13(9-6-17-4-3-14-9)15-12-10-7-1-2-8(5-7)11(10)12/h7-12,14H,1-6H2,(H,15,16)
InChIKeyVEPVCOOQKZRAHN-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
(2R)-N-(3-tricyclo[3.2.1.02,4]octanyl)piperidine-2-carboxamide
CID 113267316
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
thiomorpholine-3-carbohydrazide
CID 14045872
2-(thiomorpholine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 82916150
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
CID 114546363
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
2-pyrrolidin-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103813127
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
CID 82915610

Frequently Asked Questions

What is the IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide (CID 114096106) is N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide is O=C(NC1C2C3CCC(C3)C12)C1CSCCN1.
What is the InChIKey of N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide?
The InChIKey is VEPVCOOQKZRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c16-13(9-6-17-4-3-14-9)15-12-10-7-1-2-8(5-7)11(10)12/h7-12,14H,1-6H2,(H,15,16).
What are the key properties of N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide?
N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 114096106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).