7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane

C14H22N4O2S — CID 97472674

IUPAC7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
SMILESCn1cnc(S(=O)(=O)N2CC3(CCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C14H22N4O2S/c1-16-7-13(15-11-16)21(19,20)18-9-14(10-18)4-5-17(8-14)6-12-2-3-12/h7,11-12H,2-6,8-10H2,1H3
InChIKeyQXFRIARGWULAHD-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.53
Rot. Bonds4

About 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane

7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane (PubChem CID 97472674) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
PubChem CID97472674
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
SMILESCn1cnc(S(=O)(=O)N2CC3(CCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C14H22N4O2S/c1-16-7-13(15-11-16)21(19,20)18-9-14(10-18)4-5-17(8-14)6-12-2-3-12/h7,11-12H,2-6,8-10H2,1H3
InChIKeyQXFRIARGWULAHD-UHFFFAOYSA-N
XLogP0.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane (CID 97472674) is 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane is Cn1cnc(S(=O)(=O)N2CC3(CCN(CC4CC4)C3)C2)c1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The InChIKey is QXFRIARGWULAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-16-7-13(15-11-16)21(19,20)18-9-14(10-18)4-5-17(8-14)6-12-2-3-12/h7,11-12H,2-6,8-10H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane has a molecular weight of 310.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).