1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea

C13H26N2O2S — CID 111508784

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea
SMILESCSC1CCC(NC(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C13H26N2O2S/c1-9(2)12(16)6-7-14-13(17)15-10-4-5-11(8-10)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyRJEGMWWGZNTSPP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.98
Rot. Bonds6

About 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea

1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea (PubChem CID 111508784) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea
PubChem CID111508784
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea
SMILESCSC1CCC(NC(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C13H26N2O2S/c1-9(2)12(16)6-7-14-13(17)15-10-4-5-11(8-10)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyRJEGMWWGZNTSPP-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 95968811
1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
3-methoxy-4-[(3-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114124064
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97008370
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
1-[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S,3R)-3-methylsulfanylcyclopentyl]urea
CID 97248868

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea (CID 111508784) is 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea is CSC1CCC(NC(=O)NCCC(O)C(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea?
The InChIKey is RJEGMWWGZNTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(2)12(16)6-7-14-13(17)15-10-4-5-11(8-10)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea?
1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea has a molecular weight of 274.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea is sourced from PubChem (CID 111508784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).