N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide

C11H18N4O4S — CID 110268389

IUPACN,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(S(=O)(=O)c2cn(C)cn2)CCO1
InChIInChI=1S/C11H18N4O4S/c1-11(10(16)12-2)7-15(4-5-19-11)20(17,18)9-6-14(3)8-13-9/h6,8H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyIPNWDNDBBHEFJS-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.05
Rot. Bonds3

About N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide

N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide (PubChem CID 110268389) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
PubChem CID110268389
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(S(=O)(=O)c2cn(C)cn2)CCO1
InChIInChI=1S/C11H18N4O4S/c1-11(10(16)12-2)7-15(4-5-19-11)20(17,18)9-6-14(3)8-13-9/h6,8H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyIPNWDNDBBHEFJS-UHFFFAOYSA-N
XLogP-1.05
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839418
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149609
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940
3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660489
(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471958
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
(3R)-1-(1-methylimidazol-4-yl)sulfonyl-3-propylpiperidine-3-carboxylic acid
CID 95017870

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide (CID 110268389) is N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide is CNC(=O)C1(C)CN(S(=O)(=O)c2cn(C)cn2)CCO1.
What is the InChIKey of N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The InChIKey is IPNWDNDBBHEFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-11(10(16)12-2)7-15(4-5-19-11)20(17,18)9-6-14(3)8-13-9/h6,8H,4-5,7H2,1-3H3,(H,12,16).
What are the key properties of N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 110268389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).