1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea

C12H25N3OS — CID 71985730

IUPAC1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCSC(C)(C)CNC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-12(2,17-4)9-13-11(16)14-10-5-7-15(3)8-6-10/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyDPEABLIESFFCSX-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea

1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 71985730) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID71985730
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCSC(C)(C)CNC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-12(2,17-4)9-13-11(16)14-10-5-7-15(3)8-6-10/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyDPEABLIESFFCSX-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-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

3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859652
2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
1-(2-Methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 71868349
1-[1-(3-Methylbut-2-enyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 75423088
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
4-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperazine-1-carboxamide
CID 172437240
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692
4-amino-N-tert-butylpiperidine-1-carboxamide
CID 28785595
3,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea hydrochloride
CID 145915351
N-ethyl-4-(2-((ethylthio)methyl)pyrrolidin-1-yl)piperidine-1-carboxamide
CID 76148995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea (CID 71985730) is 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea is CSC(C)(C)CNC(=O)NC1CCN(C)CC1.
What is the InChIKey of 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is DPEABLIESFFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-12(2,17-4)9-13-11(16)14-10-5-7-15(3)8-6-10/h10H,5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea?
1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 259.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 71985730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).