N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C17H28N4O4S — CID 91919414

IUPACN,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCN(C)C(=O)CC1CCOC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C17H28N4O4S/c1-19(2)16(22)10-14-4-9-25-17(11-14)5-7-21(8-6-17)26(23,24)15-12-20(3)13-18-15/h12-14H,4-11H2,1-3H3
InChIKeyFCHWBCUFPFPLTB-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.85
Rot. Bonds4

About N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919414) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919414
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC NameN,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCN(C)C(=O)CC1CCOC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C17H28N4O4S/c1-19(2)16(22)10-14-4-9-25-17(11-14)5-7-21(8-6-17)26(23,24)15-12-20(3)13-18-15/h12-14H,4-11H2,1-3H3
InChIKeyFCHWBCUFPFPLTB-UHFFFAOYSA-N
XLogP0.85
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919414) is N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CN(C)C(=O)CC1CCOC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is FCHWBCUFPFPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-19(2)16(22)10-14-4-9-25-17(11-14)5-7-21(8-6-17)26(23,24)15-12-20(3)13-18-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).