6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one

C14H17N3O4S — CID 154961104

IUPAC6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)C3NCC34CCNCC4)cc2o1
InChIInChI=1S/C14H17N3O4S/c18-13-17-10-2-1-9(7-11(10)21-13)22(19,20)12-14(8-16-12)3-5-15-6-4-14/h1-2,7,12,15-16H,3-6,8H2,(H,17,18)
InChIKeyBMRZEVLCNNZOHH-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.19
Rot. Bonds2

About 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one

6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 154961104) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one
PubChem CID154961104
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)C3NCC34CCNCC4)cc2o1
InChIInChI=1S/C14H17N3O4S/c18-13-17-10-2-1-9(7-11(10)21-13)22(19,20)12-14(8-16-12)3-5-15-6-4-14/h1-2,7,12,15-16H,3-6,8H2,(H,17,18)
InChIKeyBMRZEVLCNNZOHH-UHFFFAOYSA-N
XLogP0.19
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one (CID 154961104) is 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)C3NCC34CCNCC4)cc2o1.
What is the InChIKey of 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is BMRZEVLCNNZOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-13-17-10-2-1-9(7-11(10)21-13)22(19,20)12-14(8-16-12)3-5-15-6-4-14/h1-2,7,12,15-16H,3-6,8H2,(H,17,18).
What are the key properties of 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 323.37 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-diazaspiro[3.5]nonan-3-ylsulfonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 154961104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).