1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine

C16H28N4O3S — CID 87053409

IUPAC1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
SMILESCc1nc(S(=O)(=O)N2CC(CN(C)C)C3(CCOCC3)C2)cn1C
InChIInChI=1S/C16H28N4O3S/c1-13-17-15(11-19(13)4)24(21,22)20-10-14(9-18(2)3)16(12-20)5-7-23-8-6-16/h11,14H,5-10,12H2,1-4H3
InChIKeyLBSWSQDAIYRHNQ-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.71
Rot. Bonds4

About 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine

1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine (PubChem CID 87053409) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
PubChem CID87053409
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
SMILESCc1nc(S(=O)(=O)N2CC(CN(C)C)C3(CCOCC3)C2)cn1C
InChIInChI=1S/C16H28N4O3S/c1-13-17-15(11-19(13)4)24(21,22)20-10-14(9-18(2)3)16(12-20)5-7-23-8-6-16/h11,14H,5-10,12H2,1-4H3
InChIKeyLBSWSQDAIYRHNQ-UHFFFAOYSA-N
XLogP0.71
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine (CID 87053409) is 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine is Cc1nc(S(=O)(=O)N2CC(CN(C)C)C3(CCOCC3)C2)cn1C.
What is the InChIKey of 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine?
The InChIKey is LBSWSQDAIYRHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-13-17-15(11-19(13)4)24(21,22)20-10-14(9-18(2)3)16(12-20)5-7-23-8-6-16/h11,14H,5-10,12H2,1-4H3.
What are the key properties of 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine?
1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine has a molecular weight of 356.49 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 87053409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).