N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide

C15H25N5O3S — CID 131638441

IUPACN,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C15H25N5O3S/c1-17(2)14(21)19-7-4-5-15(10-19)6-8-20(11-15)24(22,23)13-9-18(3)12-16-13/h9,12H,4-8,10-11H2,1-3H3
InChIKeyWDDBNTWKZIWANX-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.58
Rot. Bonds2

About N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide

N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 131638441) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID131638441
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C15H25N5O3S/c1-17(2)14(21)19-7-4-5-15(10-19)6-8-20(11-15)24(22,23)13-9-18(3)12-16-13/h9,12H,4-8,10-11H2,1-3H3
InChIKeyWDDBNTWKZIWANX-UHFFFAOYSA-N
XLogP0.58
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide (CID 131638441) is N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide is CN(C)C(=O)N1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1.
What is the InChIKey of N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is WDDBNTWKZIWANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-17(2)14(21)19-7-4-5-15(10-19)6-8-20(11-15)24(22,23)13-9-18(3)12-16-13/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide?
N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 131638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).