1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

C15H30N4O4S — CID 55597433

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCC(C)(CNC(=O)NC1CCN(S(C)(=O)=O)CC1)N1CCOCC1
InChIInChI=1S/C15H30N4O4S/c1-15(2,18-8-10-23-11-9-18)12-16-14(20)17-13-4-6-19(7-5-13)24(3,21)22/h13H,4-12H2,1-3H3,(H2,16,17,20)
InChIKeySPQNGWACRDEXSU-UHFFFAOYSA-N
MW362.50 g/mol
LogP-0.18
Rot. Bonds5

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 55597433) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID55597433
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCC(C)(CNC(=O)NC1CCN(S(C)(=O)=O)CC1)N1CCOCC1
InChIInChI=1S/C15H30N4O4S/c1-15(2,18-8-10-23-11-9-18)12-16-14(20)17-13-4-6-19(7-5-13)24(3,21)22/h13H,4-12H2,1-3H3,(H2,16,17,20)
InChIKeySPQNGWACRDEXSU-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-(2,2-dimethylpropyl)-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 110823075
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55793416
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
N-(2-methyl-2-morpholin-4-ylpropyl)adamantane-2-carboxamide
CID 51251027
1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 86830885
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 9452268

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 55597433) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is CC(C)(CNC(=O)NC1CCN(S(C)(=O)=O)CC1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is SPQNGWACRDEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-15(2,18-8-10-23-11-9-18)12-16-14(20)17-13-4-6-19(7-5-13)24(3,21)22/h13H,4-12H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-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-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 55597433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).