7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

C15H21N3O2S — CID 97472636

IUPAC7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)n1
InChIInChI=1S/C15H21N3O2S/c1-12-3-2-4-14(16-12)17-9-15(10-17)7-8-18(11-15)21(19,20)13-5-6-13/h2-4,13H,5-11H2,1H3
InChIKeyCIUVLOUUJNSQHK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.39
Rot. Bonds3

About 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472636) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472636
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)n1
InChIInChI=1S/C15H21N3O2S/c1-12-3-2-4-14(16-12)17-9-15(10-17)7-8-18(11-15)21(19,20)13-5-6-13/h2-4,13H,5-11H2,1H3
InChIKeyCIUVLOUUJNSQHK-UHFFFAOYSA-N
XLogP1.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (CID 97472636) is 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is Cc1cccc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)n1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is CIUVLOUUJNSQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-3-2-4-14(16-12)17-9-15(10-17)7-8-18(11-15)21(19,20)13-5-6-13/h2-4,13H,5-11H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 307.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).