6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C14H21N3O3S — CID 134506691

IUPAC6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(S(=O)(=O)N2C3CC2CN(C(C)C)C3)cn1
InChIInChI=1S/C14H21N3O3S/c1-10(2)16-8-11-6-12(9-16)17(11)21(18,19)13-4-5-14(20-3)15-7-13/h4-5,7,10-12H,6,8-9H2,1-3H3
InChIKeyDVLJGNGEJYQGEI-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.95
Rot. Bonds4

About 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134506691) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134506691
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(S(=O)(=O)N2C3CC2CN(C(C)C)C3)cn1
InChIInChI=1S/C14H21N3O3S/c1-10(2)16-8-11-6-12(9-16)17(11)21(18,19)13-4-5-14(20-3)15-7-13/h4-5,7,10-12H,6,8-9H2,1-3H3
InChIKeyDVLJGNGEJYQGEI-UHFFFAOYSA-N
XLogP0.95
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 134436247
3-butan-2-yl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 134510590
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
CID 69088398
2-methoxy-5-methylsulfonylpyridine
CID 13433434
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541445
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 146102616
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
6-(4-methoxyphenyl)sulfonyl-3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 172893798
(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 134506691) is 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is COc1ccc(S(=O)(=O)N2C3CC2CN(C(C)C)C3)cn1.
What is the InChIKey of 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is DVLJGNGEJYQGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)16-8-11-6-12(9-16)17(11)21(18,19)13-4-5-14(20-3)15-7-13/h4-5,7,10-12H,6,8-9H2,1-3H3.
What are the key properties of 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 311.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3-pyridinyl)sulfonyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134506691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).