1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea

C21H31N3O3S2 — CID 71064561

IUPAC1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)NC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C21H31N3O3S2/c25-20(23-21-12-15-3-1-4-16(13-21)17(11-15)14-21)22-18-6-8-24(9-7-18)29(26,27)19-5-2-10-28-19/h2,5,10,15-18H,1,3-4,6-9,11-14H2,(H2,22,23,25)
InChIKeyDNRVZJLTXSHSBE-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.56
Rot. Bonds4

About 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea

1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea (PubChem CID 71064561) has the molecular formula C21H31N3O3S2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea.

Molecular Properties

Compound Name1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
PubChem CID71064561
Molecular FormulaC21H31N3O3S2
Molecular Weight437.63 g/mol
Exact Mass437.18
IUPAC Name1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)NC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C21H31N3O3S2/c25-20(23-21-12-15-3-1-4-16(13-21)17(11-15)14-21)22-18-6-8-24(9-7-18)29(26,27)19-5-2-10-28-19/h2,5,10,15-18H,1,3-4,6-9,11-14H2,(H2,22,23,25)
InChIKeyDNRVZJLTXSHSBE-UHFFFAOYSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)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-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
CID 70991317
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
ethyl [4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamoyl]phenyl] carbonate
CID 108559085
2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
CID 141034176
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea?
The IUPAC name of 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea (CID 71064561) is 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea.
What is the SMILES notation for 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea?
The canonical SMILES for 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea is O=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)NC12CC3CCCC(C1)C(C3)C2.
What is the InChIKey of 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea?
The InChIKey is DNRVZJLTXSHSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S2/c25-20(23-21-12-15-3-1-4-16(13-21)17(11-15)14-21)22-18-6-8-24(9-7-18)29(26,27)19-5-2-10-28-19/h2,5,10,15-18H,1,3-4,6-9,11-14H2,(H2,22,23,25).
What are the key properties of 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea?
1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea has a molecular weight of 437.63 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea is sourced from PubChem (CID 71064561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).