1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea

C15H30N4O4S — CID 55793416

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCC1CN(CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC(C)O1
InChIInChI=1S/C15H30N4O4S/c1-12-10-18(11-13(2)23-12)9-6-16-15(20)17-14-4-7-19(8-5-14)24(3,21)22/h12-14H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyDUBNMVYNOMDUPX-UHFFFAOYSA-N
MW362.50 g/mol
LogP-0.18
Rot. Bonds5

About 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea

1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 55793416) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID55793416
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCC1CN(CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC(C)O1
InChIInChI=1S/C15H30N4O4S/c1-12-10-18(11-13(2)23-12)9-6-16-15(20)17-14-4-7-19(8-5-14)24(3,21)22/h12-14H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyDUBNMVYNOMDUPX-UHFFFAOYSA-N
XLogP-0.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 97225657
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 31989348
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55597433
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 55747812
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-[1-(dimethylsulfamoyl)azetidin-3-yl]-3-[2-(3-methylpyrrolidin-1-yl)ethyl]urea
CID 146140724
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 55793416) is 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea is CC1CN(CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is DUBNMVYNOMDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-12-10-18(11-13(2)23-12)9-6-16-15(20)17-14-4-7-19(8-5-14)24(3,21)22/h12-14H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 362.50 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 55793416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).