methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

C9H20N2O3S — CID 161220759

IUPACmethane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESC.CS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O3S.CH4/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11;/h9H,2-7H2,1H3;1H4
InChIKeyUXLVLYQLZDYBNZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.18
Rot. Bonds5

About methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 161220759) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Namemethane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID161220759
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Namemethane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESC.CS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O3S.CH4/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11;/h9H,2-7H2,1H3;1H4
InChIKeyUXLVLYQLZDYBNZ-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-5-oxopyrrolidine-3-carboxamide
CID 53518420
N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide
CID 99919595
N-methyl-2-pyrrolidonium methyl sulfonate
CID 121284344
(3S)-N-(2-methylpropylsulfonyl)-1-propanoylpyrrolidine-3-carboxamide
CID 164637647
1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 117063799
[1-[3-[3-Aminopropyl(methyl)amino]propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675467
1-[3-(Ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713720
1-[3-[3-Aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713871
1-[3-(Methylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713887
1-[3-(3-Aminopropylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714820
N-[1-(cyclopropylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016568
1-(methylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)azetidine-3-carboxamide
CID 71785476

Frequently Asked Questions

What is the IUPAC name of methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (CID 161220759) is methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is C.CS(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is UXLVLYQLZDYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S.CH4/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11;/h9H,2-7H2,1H3;1H4.
What are the key properties of methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 161220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).