1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea

C10H20N2O2S — CID 95968811

IUPAC1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@@H](NC(=O)NCCCO)C1
InChIInChI=1S/C10H20N2O2S/c1-15-9-4-3-8(7-9)12-10(14)11-5-2-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9+/m1/s1
InChIKeyPGCGXJLZBUUKFG-BDAKNGLRSA-N
MW232.35 g/mol
LogP0.95
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea

1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea (PubChem CID 95968811) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
PubChem CID95968811
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@@H](NC(=O)NCCCO)C1
InChIInChI=1S/C10H20N2O2S/c1-15-9-4-3-8(7-9)12-10(14)11-5-2-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9+/m1/s1
InChIKeyPGCGXJLZBUUKFG-BDAKNGLRSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea
CID 111508784
1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97008370
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317
1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
CID 130626358
3-methoxy-4-[(3-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114124064
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
cis-(1R,3S)-3-(6-methylsulfanylhexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320461
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
1-[(1R,3S)-3-methylsulfanylcyclopentyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 96518795
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea (CID 95968811) is 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea is CS[C@H]1CC[C@@H](NC(=O)NCCCO)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The InChIKey is PGCGXJLZBUUKFG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15-9-4-3-8(7-9)12-10(14)11-5-2-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9+/m1/s1.
What are the key properties of 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea has a molecular weight of 232.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 95968811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).