N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide

C12H22N2O3S — CID 114949202

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CSCCN1
InChIInChI=1S/C12H22N2O3S/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3
InChIKeyBJFGYAXBIGWVEV-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.31
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 114949202) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID114949202
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CSCCN1
InChIInChI=1S/C12H22N2O3S/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3
InChIKeyBJFGYAXBIGWVEV-UHFFFAOYSA-N
XLogP-0.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
4-[(thiomorpholine-3-carbonylamino)methyl]oxane-4-carboxylic acid
CID 82917777

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide (CID 114949202) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide is CN(CC1(O)CCOCC1)C(=O)C1CSCCN1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is BJFGYAXBIGWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(9-12(16)2-5-17-6-3-12)11(15)10-8-18-7-4-13-10/h10,13,16H,2-9H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 114949202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).