2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride

C12H19ClN2S — CID 120907713

IUPAC2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cc(CN2CCC3(CCNC3)C2)cs1
InChIInChI=1S/C12H18N2S.ClH/c1-6-15-8-11(1)7-14-5-3-12(10-14)2-4-13-9-12;/h1,6,8,13H,2-5,7,9-10H2;1H
InChIKeyNVRFJZAYEFAKFB-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.36
Rot. Bonds2

About 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride

2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907713) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120907713
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cc(CN2CCC3(CCNC3)C2)cs1
InChIInChI=1S/C12H18N2S.ClH/c1-6-15-8-11(1)7-14-5-3-12(10-14)2-4-13-9-12;/h1,6,8,13H,2-5,7,9-10H2;1H
InChIKeyNVRFJZAYEFAKFB-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518
2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908278
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907713) is 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1cc(CN2CCC3(CCNC3)C2)cs1.
What is the InChIKey of 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is NVRFJZAYEFAKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S.ClH/c1-6-15-8-11(1)7-14-5-3-12(10-14)2-4-13-9-12;/h1,6,8,13H,2-5,7,9-10H2;1H.
What are the key properties of 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 258.82 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).