(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane

C13H22N4O3S — CID 97471958

IUPAC(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCN1CC[C@@]2(COCCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C13H22N4O3S/c1-15-4-3-13(8-15)9-17(5-6-20-10-13)21(18,19)12-7-16(2)11-14-12/h7,11H,3-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyWCPXQEHPOZLFDE-CYBMUJFWSA-N
MW314.41 g/mol
LogP-0.24
Rot. Bonds2

About (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97471958) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97471958
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCN1CC[C@@]2(COCCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C13H22N4O3S/c1-15-4-3-13(8-15)9-17(5-6-20-10-13)21(18,19)12-7-16(2)11-14-12/h7,11H,3-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyWCPXQEHPOZLFDE-CYBMUJFWSA-N
XLogP-0.24
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660489
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
3-(1-methylimidazol-4-yl)sulfonyl-8-oxa-3-azaspiro[5.6]dodec-10-ene
CID 155984004
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149609
3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
(4R)-2-methyl-9-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97455008
2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
CID 166170976
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
CID 110268389
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97471958) is (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane is CN1CC[C@@]2(COCCN(S(=O)(=O)c3cn(C)cn3)C2)C1.
What is the InChIKey of (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is WCPXQEHPOZLFDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-15-4-3-13(8-15)9-17(5-6-20-10-13)21(18,19)12-7-16(2)11-14-12/h7,11H,3-6,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 314.41 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97471958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).