1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea

C12H23N3O4S — CID 94049888

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCOC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-20(17,18)15-5-2-11(3-6-15)14-12(16)13-8-10-4-7-19-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16)/t10-/m1/s1
InChIKeySCXQGWWNGRNGRH-SNVBAGLBSA-N
MW305.40 g/mol
LogP-0.25
Rot. Bonds4

About 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea

1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94049888) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94049888
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCOC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-20(17,18)15-5-2-11(3-6-15)14-12(16)13-8-10-4-7-19-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16)/t10-/m1/s1
InChIKeySCXQGWWNGRNGRH-SNVBAGLBSA-N
XLogP-0.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isobutyl-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
CID 91923551
N-(sec-butyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
CID 91923552
(1-(Isopropylcarbamoyl)piperidin-4-yl)methyl methanesulfonate
CID 86641165
1-methylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43628854
1-[3-(Cyclopropylmethoxy)propyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47041253
1-(3-Methoxypropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 47164208
1-(1-Methylsulfonylpiperidin-4-yl)-3-(oxolan-3-ylmethyl)urea
CID 47247545
1-Ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
CID 51084116
1-Cyclopropyl-3-[3-[methyl(methylsulfonyl)amino]propyl]-1-(oxolan-3-ylmethyl)urea
CID 51084756
4-methylsulfonyl-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53500655
2-(methanesulfonamidomethyl)-N-(oxolan-3-ylmethyl)piperidine-1-carboxamide
CID 53517117
N,N-dimethyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxamide
CID 83202908

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 94049888) is 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea is CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCOC2)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is SCXQGWWNGRNGRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-20(17,18)15-5-2-11(3-6-15)14-12(16)13-8-10-4-7-19-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16)/t10-/m1/s1.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 305.40 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94049888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).