1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea

C18H21N3O2S — CID 95774139

IUPAC1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea
SMILESCc1ccsc1-c1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1
InChIInChI=1S/C18H21N3O2S/c1-12-8-9-24-17(12)13-4-3-5-14(10-13)19-18(23)20-15-6-7-16(22)21(2)11-15/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyJCWDMJOHCKKHPN-HNNXBMFYSA-N
MW343.45 g/mol
LogP3.47
Rot. Bonds3

About 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea

1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea (PubChem CID 95774139) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea
PubChem CID95774139
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea
SMILESCc1ccsc1-c1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1
InChIInChI=1S/C18H21N3O2S/c1-12-8-9-24-17(12)13-4-3-5-14(10-13)19-18(23)20-15-6-7-16(22)21(2)11-15/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyJCWDMJOHCKKHPN-HNNXBMFYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea?
The IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea (CID 95774139) is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea?
The canonical SMILES for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea is Cc1ccsc1-c1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1.
What is the InChIKey of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea?
The InChIKey is JCWDMJOHCKKHPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-8-9-24-17(12)13-4-3-5-14(10-13)19-18(23)20-15-6-7-16(22)21(2)11-15/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,19,20,23)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea?
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea has a molecular weight of 343.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea is sourced from PubChem (CID 95774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).