1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea

C16H23N3O4S — CID 136534294

IUPAC1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
SMILESO=C(Nc1ccc(OC2CCCC2)nc1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-12-7-9-24(21,22)10-8-12)19-13-5-6-15(17-11-13)23-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H2,18,19,20)
InChIKeySOGGLVJSLKWERN-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.10
Rot. Bonds4

About 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea

1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea (PubChem CID 136534294) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
PubChem CID136534294
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
SMILESO=C(Nc1ccc(OC2CCCC2)nc1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-12-7-9-24(21,22)10-8-12)19-13-5-6-15(17-11-13)23-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H2,18,19,20)
InChIKeySOGGLVJSLKWERN-UHFFFAOYSA-N
XLogP2.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-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

1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
CID 87756459
CID 87756459
1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 136534293
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 53498070
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea?
The IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea (CID 136534294) is 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea.
What is the SMILES notation for 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea?
The canonical SMILES for 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea is O=C(Nc1ccc(OC2CCCC2)nc1)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea?
The InChIKey is SOGGLVJSLKWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-16(18-12-7-9-24(21,22)10-8-12)19-13-5-6-15(17-11-13)23-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H2,18,19,20).
What are the key properties of 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea?
1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea has a molecular weight of 353.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea is sourced from PubChem (CID 136534294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).