1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea

C10H19N3O3S — CID 47399491

IUPAC1-cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCS(=O)(=O)N1CCCC(C1)NC(=O)NC2CC2
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)
InChIKeyLOXKUDGMPOSVTH-UHFFFAOYSA-N
MW261.34 g/mol
LogP-0.20
Rot. Bonds3

About 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea

1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea (PubChem CID 47399491) has the molecular formula C10H19N3O3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea
PubChem CID47399491
Molecular FormulaC10H19N3O3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name1-cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCS(=O)(=O)N1CCCC(C1)NC(=O)NC2CC2
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)
InChIKeyLOXKUDGMPOSVTH-UHFFFAOYSA-N
XLogP-0.20
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity386

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methanesulfonyl-N-propylpiperazine-1-carboxamide
CID 6469502
N-butyl-4-(methylsulfonyl)-1-piperazinecarboxamide
CID 16189712
N-cyclohexyl-4-(methylsulfonyl)-1-piperazinecarboxamide
CID 16187418
2-[2-(methanesulfonamido)ethyl]-N-methylpiperidine-1-carboxamide
CID 47062425
N-ethyl-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
CID 47062426
1-Isopropyl-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688374
1-(1-Methylsulfonylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 36968026
1-(1-Methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 47400180
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 128396118
(3S)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methyl-4-methylsulfonylpiperazine-1-carboxamide
CID 132358689
2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide
CID 138026276
N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630942

Frequently Asked Questions

What is the IUPAC name of 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The IUPAC name of 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea (CID 47399491) is 1-cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea.
What is the SMILES notation for 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The canonical SMILES for 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea is CS(=O)(=O)N1CCCC(C1)NC(=O)NC2CC2.
What is the InChIKey of 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The InChIKey is LOXKUDGMPOSVTH-UHFFFAOYSA-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).
What are the key properties of 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea has a molecular weight of 261.34 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclopropyl-3-(1-methylsulfonylpiperidin-3-yl)urea is sourced from PubChem (CID 47399491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).