(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide

C11H22N2O3S — CID 164634983

IUPAC(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
SMILESCCCCNC(=O)[C@H](C)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-5-6-12-11(14)9(2)13-7-10(8-13)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyHDXYDIOGPGRDQW-VIFPVBQESA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds6

About (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide

(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide (PubChem CID 164634983) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
PubChem CID164634983
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
SMILESCCCCNC(=O)[C@H](C)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-4-5-6-12-11(14)9(2)13-7-10(8-13)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyHDXYDIOGPGRDQW-VIFPVBQESA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide?
The IUPAC name of (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide (CID 164634983) is (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide is CCCCNC(=O)[C@H](C)N1CC(S(C)(=O)=O)C1.
What is the InChIKey of (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide?
The InChIKey is HDXYDIOGPGRDQW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-5-6-12-11(14)9(2)13-7-10(8-13)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide?
(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide is sourced from PubChem (CID 164634983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).