(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C16H23N3O3S — CID 98789035

IUPAC(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C16H23N3O3S/c1-18-11-12-19(23(21,22)14-5-3-2-4-6-14)13-16(18)8-7-15(20)17-10-9-16/h2-6H,7-13H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyFLIGRLRCNTUXJA-MRXNPFEDSA-N
MW337.44 g/mol
LogP0.66
Rot. Bonds2

About (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 98789035) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID98789035
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C16H23N3O3S/c1-18-11-12-19(23(21,22)14-5-3-2-4-6-14)13-16(18)8-7-15(20)17-10-9-16/h2-6H,7-13H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyFLIGRLRCNTUXJA-MRXNPFEDSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150778
(6R)-4-(5-ethylthiophen-2-yl)sulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789009
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
4-[[(6S)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 97125888
(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191765
(6R)-4-(1,3-benzothiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789026
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
2-[[(6S)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 97151276
(6S)-1-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122145
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677
(6S)-1-methyl-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155412
1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70725851

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 98789035) is (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCNC(=O)CC2.
What is the InChIKey of (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FLIGRLRCNTUXJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-18-11-12-19(23(21,22)14-5-3-2-4-6-14)13-16(18)8-7-15(20)17-10-9-16/h2-6H,7-13H2,1H3,(H,17,20)/t16-/m1/s1.
What are the key properties of (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 337.44 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 98789035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).