N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C14H24N4O3S — CID 131653096

IUPACN,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-16(2)12-8-14(21-10-12)4-6-18(7-5-14)22(19,20)13-9-17(3)11-15-13/h9,11-12H,4-8,10H2,1-3H3
InChIKeyOUUNTQXGVKPFGD-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.29
Rot. Bonds3

About N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 131653096) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID131653096
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-16(2)12-8-14(21-10-12)4-6-18(7-5-14)22(19,20)13-9-17(3)11-15-13/h9,11-12H,4-8,10H2,1-3H3
InChIKeyOUUNTQXGVKPFGD-UHFFFAOYSA-N
XLogP0.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 131653096) is N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)C1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is OUUNTQXGVKPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-16(2)12-8-14(21-10-12)4-6-18(7-5-14)22(19,20)13-9-17(3)11-15-13/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 328.44 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131653096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).