N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide

C10H18N2O4S — CID 81039320

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)C1COCCN1
InChIInChI=1S/C10H18N2O4S/c13-10(9-7-16-4-3-11-9)12-6-8-2-1-5-17(8,14)15/h8-9,11H,1-7H2,(H,12,13)
InChIKeyZCIGWYBZSXHVBK-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.33
Rot. Bonds3

About N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide

N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 81039320) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide
PubChem CID81039320
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)C1COCCN1
InChIInChI=1S/C10H18N2O4S/c13-10(9-7-16-4-3-11-9)12-6-8-2-1-5-17(8,14)15/h8-9,11H,1-7H2,(H,12,13)
InChIKeyZCIGWYBZSXHVBK-UHFFFAOYSA-N
XLogP-1.33
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 ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide
CID 124592544
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide
CID 103811312
N-[(3-methylcyclohexyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119750252
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 81042530
N-[(2-propan-2-yloxan-3-yl)methyl]morpholine-3-carboxamide
CID 119819551
(2S)-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61179027
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexane-1-carboxamide
CID 81038544
N-(2-chloroprop-2-enyl)morpholine-3-carboxamide
CID 115739704

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide (CID 81039320) is N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide is O=C(NCC1CCCS1(=O)=O)C1COCCN1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is ZCIGWYBZSXHVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(9-7-16-4-3-11-9)12-6-8-2-1-5-17(8,14)15/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide?
N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 81039320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).