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

C14H25ClN4O2S — CID 154906899

IUPAC2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCn1cc(S(=O)(=O)N2CCC3(CCNCC3)C2)cn1.Cl
InChIInChI=1S/C14H24N4O2S.ClH/c1-2-8-17-11-13(10-16-17)21(19,20)18-9-5-14(12-18)3-6-15-7-4-14;/h10-11,15H,2-9,12H2,1H3;1H
InChIKeyGFVWILQAEGEVDZ-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.48
Rot. Bonds4

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

2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 154906899) has the molecular formula C14H25ClN4O2S and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID154906899
Molecular FormulaC14H25ClN4O2S
Molecular Weight348.90 g/mol
Exact Mass348.14
IUPAC Name2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCn1cc(S(=O)(=O)N2CCC3(CCNCC3)C2)cn1.Cl
InChIInChI=1S/C14H24N4O2S.ClH/c1-2-8-17-11-13(10-16-17)21(19,20)18-9-5-14(12-18)3-6-15-7-4-14;/h10-11,15H,2-9,12H2,1H3;1H
InChIKeyGFVWILQAEGEVDZ-UHFFFAOYSA-N
XLogP1.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (CID 154906899) is 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is CCCn1cc(S(=O)(=O)N2CCC3(CCNCC3)C2)cn1.Cl.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is GFVWILQAEGEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.ClH/c1-2-8-17-11-13(10-16-17)21(19,20)18-9-5-14(12-18)3-6-15-7-4-14;/h10-11,15H,2-9,12H2,1H3;1H.
What are the key properties of 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 154906899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).