N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C15H25N5O3S — CID 72862214

IUPACN,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H25N5O3S/c1-17(2)15(21)11-19-7-12-4-5-13(9-19)20(8-12)24(22,23)14-6-16-18(3)10-14/h6,10,12-13H,4-5,7-9,11H2,1-3H3/t12-,13+/m0/s1
InChIKeyDZTJACSVGBMSHX-QWHCGFSZSA-N
MW355.46 g/mol
LogP-0.41
Rot. Bonds4

About N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 72862214) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID72862214
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H25N5O3S/c1-17(2)15(21)11-19-7-12-4-5-13(9-19)20(8-12)24(22,23)14-6-16-18(3)10-14/h6,10,12-13H,4-5,7-9,11H2,1-3H3/t12-,13+/m0/s1
InChIKeyDZTJACSVGBMSHX-QWHCGFSZSA-N
XLogP-0.41
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.41
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-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 72862214) is N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cnn(C)c1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is DZTJACSVGBMSHX-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-17(2)15(21)11-19-7-12-4-5-13(9-19)20(8-12)24(22,23)14-6-16-18(3)10-14/h6,10,12-13H,4-5,7-9,11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of -0.41, 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-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 72862214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).