[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea

C14H23N3OS — CID 63983873

IUPAC[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
SMILESCSCC(C)CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H23N3OS/c1-10(9-19-3)8-16-11(2)12-4-6-13(7-5-12)17-14(15)18/h4-7,10-11,16H,8-9H2,1-3H3,(H3,15,17,18)
InChIKeyWVKXFDJXXWXEQD-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.83
Rot. Bonds7

About [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea

[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea (PubChem CID 63983873) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
PubChem CID63983873
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
SMILESCSCC(C)CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H23N3OS/c1-10(9-19-3)8-16-11(2)12-4-6-13(7-5-12)17-14(15)18/h4-7,10-11,16H,8-9H2,1-3H3,(H3,15,17,18)
InChIKeyWVKXFDJXXWXEQD-UHFFFAOYSA-N
XLogP2.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]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

[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-(5-methylsulfanylpentylamino)ethyl]phenyl]urea
CID 104926294
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea (CID 63983873) is [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea is CSCC(C)CNC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea?
The InChIKey is WVKXFDJXXWXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(9-19-3)8-16-11(2)12-4-6-13(7-5-12)17-14(15)18/h4-7,10-11,16H,8-9H2,1-3H3,(H3,15,17,18).
What are the key properties of [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea?
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea has a molecular weight of 281.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 63983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).