7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H29N3O4S — CID 72858775

IUPAC7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(S(=O)(=O)N1CCOCC1)C2
InChIInChI=1S/C17H29N3O4S/c21-16-17(5-2-7-18(16)13-15-3-1-4-15)6-8-20(14-17)25(22,23)19-9-11-24-12-10-19/h15H,1-14H2
InChIKeyKYRAJCAYROBWGN-UHFFFAOYSA-N
MW371.50 g/mol
LogP0.68
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72858775) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72858775
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(S(=O)(=O)N1CCOCC1)C2
InChIInChI=1S/C17H29N3O4S/c21-16-17(5-2-7-18(16)13-15-3-1-4-15)6-8-20(14-17)25(22,23)19-9-11-24-12-10-19/h15H,1-14H2
InChIKeyKYRAJCAYROBWGN-UHFFFAOYSA-N
XLogP0.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72858775) is 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCCC12CCN(S(=O)(=O)N1CCOCC1)C2.
What is the InChIKey of 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KYRAJCAYROBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c21-16-17(5-2-7-18(16)13-15-3-1-4-15)6-8-20(14-17)25(22,23)19-9-11-24-12-10-19/h15H,1-14H2.
What are the key properties of 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.50 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72858775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).