(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

C13H22N2O3S — CID 97373251

IUPAC(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C13H22N2O3S/c1-14-12(16)4-2-7-13(14)8-3-9-15(10-13)19(17,18)11-5-6-11/h11H,2-10H2,1H3/t13-/m0/s1
InChIKeyWZWQOLYJUYCLEC-ZDUSSCGKSA-N
MW286.40 g/mol
LogP0.96
Rot. Bonds2

About (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97373251) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97373251
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C13H22N2O3S/c1-14-12(16)4-2-7-13(14)8-3-9-15(10-13)19(17,18)11-5-6-11/h11H,2-10H2,1H3/t13-/m0/s1
InChIKeyWZWQOLYJUYCLEC-ZDUSSCGKSA-N
XLogP0.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495408
9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450540
8-(3-fluoro-4-methylphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131640475
(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97373256
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484856
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131663239
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462
(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490068
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
1-cyclopropylsulfonyl-4-methylpiperazine
CID 59576558

Frequently Asked Questions

What is the IUPAC name of (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (CID 97373251) is (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is WZWQOLYJUYCLEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-14-12(16)4-2-7-13(14)8-3-9-15(10-13)19(17,18)11-5-6-11/h11H,2-10H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 286.40 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97373251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).