1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea

C16H25N3OS — CID 98897633

IUPAC1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C16H25N3OS/c1-18(2)15(20)17-14-9-16(10-14)4-6-19(7-5-16)11-13-3-8-21-12-13/h3,8,12,14H,4-7,9-11H2,1-2H3,(H,17,20)
InChIKeyPDXDIMUZKPFHFV-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.76
Rot. Bonds3

About 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea

1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea (PubChem CID 98897633) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
PubChem CID98897633
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C16H25N3OS/c1-18(2)15(20)17-14-9-16(10-14)4-6-19(7-5-16)11-13-3-8-21-12-13/h3,8,12,14H,4-7,9-11H2,1-2H3,(H,17,20)
InChIKeyPDXDIMUZKPFHFV-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-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

1,1-dimethyl-3-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97483726
3-[7-[(3-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894447
3-[7-[(1,3-dimethylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894910
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea
CID 98895938
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 118743828
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879
N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118742419
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286
3-[[(3aR,6aR)-5-(thiophen-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420518

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea (CID 98897633) is 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea is CN(C)C(=O)NC1CC2(CCN(Cc3ccsc3)CC2)C1.
What is the InChIKey of 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The InChIKey is PDXDIMUZKPFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18(2)15(20)17-14-9-16(10-14)4-6-19(7-5-16)11-13-3-8-21-12-13/h3,8,12,14H,4-7,9-11H2,1-2H3,(H,17,20).
What are the key properties of 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea?
1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea has a molecular weight of 307.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea is sourced from PubChem (CID 98897633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).