(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

C15H26N2O4S — CID 97484856

IUPAC(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@]12CCCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C15H26N2O4S/c1-21-12-11-17-14(18)5-7-15(17)6-2-9-16(10-8-15)22(19,20)13-3-4-13/h13H,2-12H2,1H3/t15-/m0/s1
InChIKeyUTEQIPLOCJDWDV-HNNXBMFYSA-N
MW330.45 g/mol
LogP0.97
Rot. Bonds5

About (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484856) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484856
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@]12CCCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C15H26N2O4S/c1-21-12-11-17-14(18)5-7-15(17)6-2-9-16(10-8-15)22(19,20)13-3-4-13/h13H,2-12H2,1H3/t15-/m0/s1
InChIKeyUTEQIPLOCJDWDV-HNNXBMFYSA-N
XLogP0.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97373251
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
(4aS,7aS)-6-cyclopentylsulfonyl-4-(2-methoxyethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110140023

Frequently Asked Questions

What is the IUPAC name of (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97484856) is (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CC[C@]12CCCN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UTEQIPLOCJDWDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-21-12-11-17-14(18)5-7-15(17)6-2-9-16(10-8-15)22(19,20)13-3-4-13/h13H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 330.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).