1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea

C15H27N3O3S — CID 49478413

IUPAC1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCN(C(=O)NC1CCCN(S(C)(=O)=O)C1)C(C1CC1)C1CC1
InChIInChI=1S/C15H27N3O3S/c1-17(14(11-5-6-11)12-7-8-12)15(19)16-13-4-3-9-18(10-13)22(2,20)21/h11-14H,3-10H2,1-2H3,(H,16,19)
InChIKeyTXECJUHEPFUEKD-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.24
Rot. Bonds5

About 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea

1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea (PubChem CID 49478413) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
PubChem CID49478413
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCN(C(=O)NC1CCCN(S(C)(=O)=O)C1)C(C1CC1)C1CC1
InChIInChI=1S/C15H27N3O3S/c1-17(14(11-5-6-11)12-7-8-12)15(19)16-13-4-3-9-18(10-13)22(2,20)21/h11-14H,3-10H2,1-2H3,(H,16,19)
InChIKeyTXECJUHEPFUEKD-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
3-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-1,1-dimethylurea
CID 154737969
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 97314235
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The IUPAC name of 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea (CID 49478413) is 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea is CN(C(=O)NC1CCCN(S(C)(=O)=O)C1)C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The InChIKey is TXECJUHEPFUEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-17(14(11-5-6-11)12-7-8-12)15(19)16-13-4-3-9-18(10-13)22(2,20)21/h11-14H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea has a molecular weight of 329.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea is sourced from PubChem (CID 49478413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).