N-(2-adamantyl)thiomorpholine-3-carboxamide

C15H24N2OS — CID 82909198

IUPACN-(2-adamantyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CSCCN1
InChIInChI=1S/C15H24N2OS/c18-15(13-8-19-2-1-16-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,16H,1-8H2,(H,17,18)
InChIKeyKXIAJYXDNWLKFG-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.63
Rot. Bonds2

About N-(2-adamantyl)thiomorpholine-3-carboxamide

N-(2-adamantyl)thiomorpholine-3-carboxamide (PubChem CID 82909198) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-adamantyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)thiomorpholine-3-carboxamide
PubChem CID82909198
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(2-adamantyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CSCCN1
InChIInChI=1S/C15H24N2OS/c18-15(13-8-19-2-1-16-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,16H,1-8H2,(H,17,18)
InChIKeyKXIAJYXDNWLKFG-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
CID 114096106
(2S)-N-(2-adamantyl)piperidine-2-carboxamide
CID 104913047
thiomorpholine-3-carbohydrazide
CID 14045872
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
2-(thiomorpholine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 82916150
N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
CID 114546363
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
CID 82915610
(3R)-thiomorpholine-3-carboxamide
CID 41097978
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)thiomorpholine-3-carboxamide (CID 82909198) is N-(2-adamantyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)thiomorpholine-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CSCCN1.
What is the InChIKey of N-(2-adamantyl)thiomorpholine-3-carboxamide?
The InChIKey is KXIAJYXDNWLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c18-15(13-8-19-2-1-16-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,16H,1-8H2,(H,17,18).
What are the key properties of N-(2-adamantyl)thiomorpholine-3-carboxamide?
N-(2-adamantyl)thiomorpholine-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).