N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide

C12H22N2O4S — CID 104520821

IUPACN-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide
SMILESCN(CC1CNCCO1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-14(9-10-8-13-5-6-18-10)12(15)11-4-2-3-7-19(11,16)17/h10-11,13H,2-9H2,1H3
InChIKeyVYHAMTYMKZJLDH-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.60
Rot. Bonds3

About N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide

N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide (PubChem CID 104520821) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide
PubChem CID104520821
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide
SMILESCN(CC1CNCCO1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-14(9-10-8-13-5-6-18-10)12(15)11-4-2-3-7-19(11,16)17/h10-11,13H,2-9H2,1H3
InChIKeyVYHAMTYMKZJLDH-UHFFFAOYSA-N
XLogP-0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
CID 106627867
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
N-(cyclohexylmethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119704440
N-(2-bromoethyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522278
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
CID 83136380
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538
2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 64533243
N-cyclopentyl-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119696960
2-(1-methoxycyclobutyl)-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103557364
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide (CID 104520821) is N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide is CN(CC1CNCCO1)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is VYHAMTYMKZJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-14(9-10-8-13-5-6-18-10)12(15)11-4-2-3-7-19(11,16)17/h10-11,13H,2-9H2,1H3.
What are the key properties of N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide?
N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).