N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide

C11H20N2O4S2 — CID 14025456

IUPACN-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
SMILESCC(C#CCN1CCCC1)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H20N2O4S2/c1-11(7-6-10-12-8-4-5-9-12)13(18(2,14)15)19(3,16)17/h11H,4-5,8-10H2,1-3H3
InChIKeyRAJLJIMEHRVORU-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.30
Rot. Bonds4

About N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide

N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide (PubChem CID 14025456) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
PubChem CID14025456
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC NameN-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
SMILESCC(C#CCN1CCCC1)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H20N2O4S2/c1-11(7-6-10-12-8-4-5-9-12)13(18(2,14)15)19(3,16)17/h11H,4-5,8-10H2,1-3H3
InChIKeyRAJLJIMEHRVORU-UHFFFAOYSA-N
XLogP-0.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)methanesulfonamide
CID 14025453
N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
CID 14025454
N-methylsulfonyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)methanesulfonamide
CID 14025455
1-Methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730311
[C4mpyr][NMes2]
CID 139175739
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730312
(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730314
N,N-dimethylpyrrolidinium dbis(methylsunphonyl)amide
CID 139175185
N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide
CID 154550335
Bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
CID 159176837
1,2-Dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide
CID 159619578
1-methyl-1-propylpyrrolidin-1-ium;N-methylsulfonylmethanesulfonamide
CID 160142586

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide (CID 14025456) is N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide is CC(C#CCN1CCCC1)N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The InChIKey is RAJLJIMEHRVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-11(7-6-10-12-8-4-5-9-12)13(18(2,14)15)19(3,16)17/h11H,4-5,8-10H2,1-3H3.
What are the key properties of N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide has a molecular weight of 308.43 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide is sourced from PubChem (CID 14025456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).