1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea

C9H18N2OS — CID 149014671

IUPAC1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
SMILESCS[C@H](C)NC(=O)NC1CCCC1
InChIInChI=1S/C9H18N2OS/c1-7(13-2)10-9(12)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m1/s1
InChIKeyQCHMLCGBJQLLKP-SSDOTTSWSA-N
MW202.32 g/mol
LogP1.94
Rot. Bonds3

About 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea

1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea (PubChem CID 149014671) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
PubChem CID149014671
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
SMILESCS[C@H](C)NC(=O)NC1CCCC1
InChIInChI=1S/C9H18N2OS/c1-7(13-2)10-9(12)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m1/s1
InChIKeyQCHMLCGBJQLLKP-SSDOTTSWSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea (CID 149014671) is 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea is CS[C@H](C)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea?
The InChIKey is QCHMLCGBJQLLKP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(13-2)10-9(12)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea?
1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea has a molecular weight of 202.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea is sourced from PubChem (CID 149014671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).