[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C12H20N2O3S — CID 97392876

IUPAC[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H20N2O3S/c1-9-5-10(9)11(15)13-6-12(7-13)3-4-14(8-12)18(2,16)17/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYFCQZUITHJFBGD-NXEZZACHSA-N
MW272.37 g/mol
LogP0.14
Rot. Bonds2

About [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 97392876) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID97392876
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H20N2O3S/c1-9-5-10(9)11(15)13-6-12(7-13)3-4-14(8-12)18(2,16)17/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYFCQZUITHJFBGD-NXEZZACHSA-N
XLogP0.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone with MolForge

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Related Compounds

1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)cyclopentane-1-carbonitrile
CID 131685321
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
[(5R,9S)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124783436
(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
CID 131644225
(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 82235812
1-[5-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)-1H-pyrazol-3-yl]ethanone
CID 131686235
2-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 60953415
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
(2-amino-3-methylcyclohexyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62994328
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 97392876) is [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is C[C@@H]1C[C@H]1C(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is YFCQZUITHJFBGD-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-5-10(9)11(15)13-6-12(7-13)3-4-14(8-12)18(2,16)17/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 97392876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).