1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea

C10H19N3O3S — CID 94211342

IUPAC1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CC2)C1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)13-6-2-3-9(7-13)12-10(14)11-8-4-5-8/h8-9H,2-7H2,1H3,(H2,11,12,14)/t9-/m1/s1
InChIKeyLOXKUDGMPOSVTH-SECBINFHSA-N
MW261.35 g/mol
LogP-0.13
Rot. Bonds3

About 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea

1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea (PubChem CID 94211342) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
PubChem CID94211342
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CC2)C1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)13-6-2-3-9(7-13)12-10(14)11-8-4-5-8/h8-9H,2-7H2,1H3,(H2,11,12,14)/t9-/m1/s1
InChIKeyLOXKUDGMPOSVTH-SECBINFHSA-N
XLogP-0.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 167830744
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 95197444
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47765775
1-cyclooctyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)urea
CID 166225966
1-(1-methylsulfonylpiperidin-3-yl)-3-(4-methylthiophen-3-yl)urea
CID 136516934
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea (CID 94211342) is 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea is CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea?
The InChIKey is LOXKUDGMPOSVTH-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-17(15,16)13-6-2-3-9(7-13)12-10(14)11-8-4-5-8/h8-9H,2-7H2,1H3,(H2,11,12,14)/t9-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea?
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea has a molecular weight of 261.35 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea is sourced from PubChem (CID 94211342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).