2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane

C15H21N3O2S — CID 97369827

IUPAC2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CC2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C15H21N3O2S/c19-21(20,14-1-2-14)18-11-15(12-18)5-8-17(10-15)9-13-3-6-16-7-4-13/h3-4,6-7,14H,1-2,5,8-12H2
InChIKeyPTMWEWDXJVFFFB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.08
Rot. Bonds4

About 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane

2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97369827) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97369827
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CC2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C15H21N3O2S/c19-21(20,14-1-2-14)18-11-15(12-18)5-8-17(10-15)9-13-3-6-16-7-4-13/h3-4,6-7,14H,1-2,5,8-12H2
InChIKeyPTMWEWDXJVFFFB-UHFFFAOYSA-N
XLogP1.08
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829242
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692911
3-ethylsulfonyl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399465
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 131649452
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97412786
7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane (CID 97369827) is 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane is O=S(=O)(C1CC1)N1CC2(CCN(Cc3ccncc3)C2)C1.
What is the InChIKey of 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is PTMWEWDXJVFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-21(20,14-1-2-14)18-11-15(12-18)5-8-17(10-15)9-13-3-6-16-7-4-13/h3-4,6-7,14H,1-2,5,8-12H2.
What are the key properties of 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane?
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 307.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97369827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).