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

C14H24N4O2S — CID 97472658

IUPAC2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyPSSNKTLKQUDCIO-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.77
Rot. Bonds4

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

2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472658) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472658
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyPSSNKTLKQUDCIO-UHFFFAOYSA-N
XLogP0.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
7-Ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
CID 97392923
(3aR,6aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97458869
7-(Cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
CID 97472674
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
1-methyl-N-propyl-N-(tetrahydro-3-furanylmethyl)-1H-imidazole-4-sulfonamide
CID 91905714
7-(Cyclopropylmethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118746552
7-Ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118746554
2-(1-Methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118746559
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900
1-Methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 20958597
4-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 53007766

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane (CID 97472658) is 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane is CC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is PSSNKTLKQUDCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 312.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).