2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

C14H28ClN3O2S — CID 120718652

IUPAC2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCC3(CCNCC3)C2)CC1.Cl
InChIInChI=1S/C14H27N3O2S.ClH/c1-13-2-9-16(10-3-13)20(18,19)17-11-6-14(12-17)4-7-15-8-5-14;/h13,15H,2-12H2,1H3;1H
InChIKeyRBMKCDAOQADIPB-UHFFFAOYSA-N
MW337.92 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120718652) has the molecular formula C14H28ClN3O2S and a molecular weight of 337.92 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120718652
Molecular FormulaC14H28ClN3O2S
Molecular Weight337.92 g/mol
Exact Mass337.16
IUPAC Name2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCC3(CCNCC3)C2)CC1.Cl
InChIInChI=1S/C14H27N3O2S.ClH/c1-13-2-9-16(10-3-13)20(18,19)17-11-6-14(12-17)4-7-15-8-5-14;/h13,15H,2-12H2,1H3;1H
InChIKeyRBMKCDAOQADIPB-UHFFFAOYSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120718652) is 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is CC1CCN(S(=O)(=O)N2CCC3(CCNCC3)C2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is RBMKCDAOQADIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S.ClH/c1-13-2-9-16(10-3-13)20(18,19)17-11-6-14(12-17)4-7-15-8-5-14;/h13,15H,2-12H2,1H3;1H.
What are the key properties of 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120718652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).