N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide

C10H18N2O4S — CID 64912127

IUPACN-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1CNCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c13-10(8-1-4-17(14,15)7-8)12-6-9-5-11-2-3-16-9/h8-9,11H,1-7H2,(H,12,13)
InChIKeyGRMGFXIWUOWBGP-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.47
Rot. Bonds3

About N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide

N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 64912127) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID64912127
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1CNCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c13-10(8-1-4-17(14,15)7-8)12-6-9-5-11-2-3-16-9/h8-9,11H,1-7H2,(H,12,13)
InChIKeyGRMGFXIWUOWBGP-UHFFFAOYSA-N
XLogP-1.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
(2R)-N-(morpholin-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 103840837
3-(morpholin-2-ylmethoxy)thiolane 1,1-dioxide
CID 114468408
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
CID 142435710
N-(1,1-dioxothian-3-yl)-2-morpholin-2-ylacetamide
CID 66428117
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
4-methyl-N-(morpholin-2-ylmethyl)pentanamide
CID 43603056
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
1-ethyl-1-methyl-3-(morpholin-2-ylmethyl)urea
CID 79160698
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide (CID 64912127) is N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide is O=C(NCC1CNCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is GRMGFXIWUOWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(8-1-4-17(14,15)7-8)12-6-9-5-11-2-3-16-9/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide?
N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64912127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).