1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea

C10H20N2OS — CID 115640204

IUPAC1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-8(7-14-2)11-10(13)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyNGLMKXGTXMTCAV-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.98
Rot. Bonds4

About 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea

1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea (PubChem CID 115640204) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
PubChem CID115640204
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-8(7-14-2)11-10(13)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyNGLMKXGTXMTCAV-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)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-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
CID 149014671
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea (CID 115640204) is 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea is CSCC(C)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea?
The InChIKey is NGLMKXGTXMTCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(7-14-2)11-10(13)12-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea?
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea has a molecular weight of 216.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea is sourced from PubChem (CID 115640204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).