2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C13H20Cl2N2S — CID 120906918

IUPAC2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Clc1csc(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C13H19ClN2S.ClH/c14-11-7-12(17-9-11)8-16-6-3-13(10-16)1-4-15-5-2-13;/h7,9,15H,1-6,8,10H2;1H
InChIKeyOUMPFNMUCQLHHV-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.40
Rot. Bonds2

About 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906918) has the molecular formula C13H20Cl2N2S and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906918
Molecular FormulaC13H20Cl2N2S
Molecular Weight307.29 g/mol
Exact Mass306.07
IUPAC Name2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Clc1csc(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C13H19ClN2S.ClH/c14-11-7-12(17-9-11)8-16-6-3-13(10-16)1-4-15-5-2-13;/h7,9,15H,1-6,8,10H2;1H
InChIKeyOUMPFNMUCQLHHV-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807039
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
CID 120907328
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(2-chloro-4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907158
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906918) is 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.Clc1csc(CN2CCC3(CCNCC3)C2)c1.
What is the InChIKey of 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is OUMPFNMUCQLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S.ClH/c14-11-7-12(17-9-11)8-16-6-3-13(10-16)1-4-15-5-2-13;/h7,9,15H,1-6,8,10H2;1H.
What are the key properties of 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 307.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).