1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea

C11H22N2O2S — CID 96565833

IUPAC1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea
SMILESCS[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)O
InChIInChI=1S/C11H22N2O2S/c1-11(2,15)7-12-10(14)13-8-5-4-6-9(8)16-3/h8-9,15H,4-7H2,1-3H3,(H2,12,13,14)/t8-,9+/m0/s1
InChIKeyNIIXDLLTNULOGG-DTWKUNHWSA-N
MW246.38 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea

1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea (PubChem CID 96565833) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea
PubChem CID96565833
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea
SMILESCS[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)O
InChIInChI=1S/C11H22N2O2S/c1-11(2,15)7-12-10(14)13-8-5-4-6-9(8)16-3/h8-9,15H,4-7H2,1-3H3,(H2,12,13,14)/t8-,9+/m0/s1
InChIKeyNIIXDLLTNULOGG-DTWKUNHWSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114121821
3-[(2-ethylsulfanylcyclopentyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 114121881
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea
CID 75379203
1-(2,3-dimethylcyclohexyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437886
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[(1R,2S)-2-methylsulfanylcyclopentyl]urea
CID 96518851
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
CID 114121578
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
CID 97219115
N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
CID 113343493

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea (CID 96565833) is 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea is CS[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea?
The InChIKey is NIIXDLLTNULOGG-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,15)7-12-10(14)13-8-5-4-6-9(8)16-3/h8-9,15H,4-7H2,1-3H3,(H2,12,13,14)/t8-,9+/m0/s1.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea?
1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea has a molecular weight of 246.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 96565833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).