1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H25N5O3S — CID 70720945

IUPAC1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(S(=O)(=O)c1cn(C)cn1)CCN2C
InChIInChI=1S/C15H25N5O3S/c1-17-10-13(16-12-17)24(22,23)20-9-8-19(3)15(11-20)5-4-14(21)18(2)7-6-15/h10,12H,4-9,11H2,1-3H3
InChIKeyQTTIPWIJPIJWLE-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.26
Rot. Bonds2

About 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70720945) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70720945
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(S(=O)(=O)c1cn(C)cn1)CCN2C
InChIInChI=1S/C15H25N5O3S/c1-17-10-13(16-12-17)24(22,23)20-9-8-19(3)15(11-20)5-4-14(21)18(2)7-6-15/h10,12H,4-9,11H2,1-3H3
InChIKeyQTTIPWIJPIJWLE-UHFFFAOYSA-N
XLogP-0.26
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70720945) is 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(S(=O)(=O)c1cn(C)cn1)CCN2C.
What is the InChIKey of 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is QTTIPWIJPIJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-17-10-13(16-12-17)24(22,23)20-9-8-19(3)15(11-20)5-4-14(21)18(2)7-6-15/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 355.46 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70720945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).