2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C13H21ClN2OS — CID 120908511

IUPAC2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCOc1ccsc1CN1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-16-11-2-7-17-12(11)8-15-6-4-13(10-15)3-5-14-9-13;/h2,7,14H,3-6,8-10H2,1H3;1H
InChIKeySCAIIYGMABNFHV-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.36
Rot. Bonds3

About 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908511) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908511
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCOc1ccsc1CN1CCC2(CCNC2)C1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-16-11-2-7-17-12(11)8-15-6-4-13(10-15)3-5-14-9-13;/h2,7,14H,3-6,8-10H2,1H3;1H
InChIKeySCAIIYGMABNFHV-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride 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

2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908013
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
CID 120907996
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride
CID 120908014
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908511) is 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is COc1ccsc1CN1CCC2(CCNC2)C1.Cl.
What is the InChIKey of 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is SCAIIYGMABNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-16-11-2-7-17-12(11)8-15-6-4-13(10-15)3-5-14-9-13;/h2,7,14H,3-6,8-10H2,1H3;1H.
What are the key properties of 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).