(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H29N3O4S — CID 97118141

IUPAC(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@@]12CCN(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/t17-/m0/s1
InChIKeyKYRAJCAYROBWGN-KRWDZBQOSA-N
MW371.50 g/mol
LogP0.68
Rot. Bonds4

About (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97118141) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97118141
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@@]12CCN(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/t17-/m0/s1
InChIKeyKYRAJCAYROBWGN-KRWDZBQOSA-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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Related Compounds

7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72858775
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508379
(5S)-7-(cyclobutylmethyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 95724261
(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97116530
(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97116245
5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
CID 97137628
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5S)-2-(5-chlorofuran-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97133928
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97118141) is (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCC[C@@]12CCN(S(=O)(=O)N1CCOCC1)C2.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KYRAJCAYROBWGN-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-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 (5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97118141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).