8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C16H21ClN4O2S — CID 121326296

IUPAC8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H21ClN4O2S/c1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14/h8-10H,2-7,11H2,1H3,(H,18,19)
InChIKeyWDMDXCNJSSVGKV-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.47
Rot. Bonds2

About 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 121326296) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID121326296
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H21ClN4O2S/c1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14/h8-10H,2-7,11H2,1H3,(H,18,19)
InChIKeyWDMDXCNJSSVGKV-UHFFFAOYSA-N
XLogP2.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 121326296) is 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is WDMDXCNJSSVGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14/h8-10H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 368.89 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 121326296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).