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

C11H20N2O2S — CID 14025454

IUPACN-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
SMILESCC(C#CCN1CCCC1)N(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-11(12(2)16(3,14)15)7-6-10-13-8-4-5-9-13/h11H,4-5,8-10H2,1-3H3
InChIKeyVFAVZVOJIJSRRA-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.37
Rot. Bonds3

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

N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide (PubChem CID 14025454) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
PubChem CID14025454
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
SMILESCC(C#CCN1CCCC1)N(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-11(12(2)16(3,14)15)7-6-10-13-8-4-5-9-13/h11H,4-5,8-10H2,1-3H3
InChIKeyVFAVZVOJIJSRRA-UHFFFAOYSA-N
XLogP0.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide (CID 14025454) is N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide is CC(C#CCN1CCCC1)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
The InChIKey is VFAVZVOJIJSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(12(2)16(3,14)15)7-6-10-13-8-4-5-9-13/h11H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide?
N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide is sourced from PubChem (CID 14025454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).