N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide

C12H22N2OS — CID 114546363

IUPACN-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)C2CSCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-12(2)4-3-9(7-12)14-11(15)10-8-16-6-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMQJGDZRLINJZJE-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide

N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide (PubChem CID 114546363) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
PubChem CID114546363
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)C2CSCCN2)C1
InChIInChI=1S/C12H22N2OS/c1-12(2)4-3-9(7-12)14-11(15)10-8-16-6-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMQJGDZRLINJZJE-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1,3-thiazolidine-4-carboxamide
CID 114546365
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
CID 114096106
thiomorpholine-3-carbohydrazide
CID 14045872
N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
CID 82915610
N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
CID 82908761
2-(thiomorpholine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 82916150
4-methyl-N-(thiolan-3-yl)piperidine-2-carboxamide
CID 103063009
(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 90063250
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
(4S)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119343824

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide (CID 114546363) is N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide is CC1(C)CCC(NC(=O)C2CSCCN2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide?
The InChIKey is MQJGDZRLINJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2)4-3-9(7-12)14-11(15)10-8-16-6-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide?
N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 114546363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).