1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea

C11H23N3O3S — CID 47765815

IUPAC1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCCN(CC)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-4-13(5-2)11(15)12-10-7-6-8-14(9-10)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyUTOFHJQONHEWDQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.46
Rot. Bonds4

About 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea

1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea (PubChem CID 47765815) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
PubChem CID47765815
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCCN(CC)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-4-13(5-2)11(15)12-10-7-6-8-14(9-10)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyUTOFHJQONHEWDQ-UHFFFAOYSA-N
XLogP0.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 49478413
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 97314235
2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 61223104
3-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-1,1-dimethylurea
CID 154737969
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2-(cyanomethylsulfanyl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47908698

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea (CID 47765815) is 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea is CCN(CC)C(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The InChIKey is UTOFHJQONHEWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-13(5-2)11(15)12-10-7-6-8-14(9-10)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea has a molecular weight of 277.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea is sourced from PubChem (CID 47765815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).