3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea

C11H20N2O3S — CID 96535798

IUPAC3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
SMILESCN(C(=O)NC1CC1)[C@@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-13(11(14)12-8-6-7-8)9-4-3-5-10(9)17(2,15)16/h8-10H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyKYGCNOVYSWLZGC-NXEZZACHSA-N
MW260.36 g/mol
LogP0.76
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea

3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea (PubChem CID 96535798) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
PubChem CID96535798
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
SMILESCN(C(=O)NC1CC1)[C@@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-13(11(14)12-8-6-7-8)9-4-3-5-10(9)17(2,15)16/h8-10H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyKYGCNOVYSWLZGC-NXEZZACHSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-(2-methylsulfonylcyclopentyl)-3-(1,3-thiazol-2-yl)urea
CID 167969155
2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
CID 99850023
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119803169
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
N-cyclopropyl-2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65044305
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 124856790
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[(1S,2R)-2-methylsulfonylcyclopentyl]urea
CID 96998039

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea (CID 96535798) is 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea is CN(C(=O)NC1CC1)[C@@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea?
The InChIKey is KYGCNOVYSWLZGC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-13(11(14)12-8-6-7-8)9-4-3-5-10(9)17(2,15)16/h8-10H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1.
What are the key properties of 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea?
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea has a molecular weight of 260.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea is sourced from PubChem (CID 96535798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).