N-(thian-3-yl)morpholine-4-carboxamide

C10H18N2O2S — CID 115675063

IUPACN-(thian-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCCSC1)N1CCOCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-3-5-14-6-4-12)11-9-2-1-7-15-8-9/h9H,1-8H2,(H,11,13)
InChIKeyFQOMIHMVEJIEAE-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.92
Rot. Bonds1

About N-(thian-3-yl)morpholine-4-carboxamide

N-(thian-3-yl)morpholine-4-carboxamide (PubChem CID 115675063) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(thian-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(thian-3-yl)morpholine-4-carboxamide
PubChem CID115675063
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(thian-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCCSC1)N1CCOCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-3-5-14-6-4-12)11-9-2-1-7-15-8-9/h9H,1-8H2,(H,11,13)
InChIKeyFQOMIHMVEJIEAE-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide
CID 75389185
N-cyclopentylthiomorpholine-4-carboxamide
CID 115582925
4-amino-N-(thian-3-yl)oxane-4-carboxamide
CID 115763432
N-cyclopent-3-en-1-ylmorpholine-4-carboxamide
CID 115695442
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 103064175
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(thian-3-yl)morpholine-4-carboxamide (CID 115675063) is N-(thian-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(thian-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(thian-3-yl)morpholine-4-carboxamide is O=C(NC1CCCSC1)N1CCOCC1.
What is the InChIKey of N-(thian-3-yl)morpholine-4-carboxamide?
The InChIKey is FQOMIHMVEJIEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-10(12-3-5-14-6-4-12)11-9-2-1-7-15-8-9/h9H,1-8H2,(H,11,13).
What are the key properties of N-(thian-3-yl)morpholine-4-carboxamide?
N-(thian-3-yl)morpholine-4-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 115675063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).