(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide

C11H21N3O3S — CID 139379643

IUPAC(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O3S/c1-3-9(10(12)15)13-7-11(8-13)5-4-6-14(11)18(2,16)17/h9H,3-8H2,1-2H3,(H2,12,15)/t9-/m0/s1
InChIKeyBOODPCRGRGFEPJ-VIFPVBQESA-N
MW275.37 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide

(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide (PubChem CID 139379643) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
PubChem CID139379643
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O3S/c1-3-9(10(12)15)13-7-11(8-13)5-4-6-14(11)18(2,16)17/h9H,3-8H2,1-2H3,(H2,12,15)/t9-/m0/s1
InChIKeyBOODPCRGRGFEPJ-VIFPVBQESA-N
XLogP-0.64
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxy-3-methylpiperidin-1-yl)butanamide
CID 115874209
(2S)-3-hydroxy-2-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide
CID 139371304
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 136511709
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The IUPAC name of (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide (CID 139379643) is (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The canonical SMILES for (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide is CC[C@@H](C(N)=O)N1CC2(CCCN2S(C)(=O)=O)C1.
What is the InChIKey of (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The InChIKey is BOODPCRGRGFEPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-3-9(10(12)15)13-7-11(8-13)5-4-6-14(11)18(2,16)17/h9H,3-8H2,1-2H3,(H2,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide has a molecular weight of 275.37 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide is sourced from PubChem (CID 139379643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).