N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C16H26N4O3S — CID 125003728

IUPACN-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1
InChIInChI=1S/C16H26N4O3S/c1-4-19(5-2)24(22,23)20-11-7-10-16(20)15-9-6-8-14(18-15)12-17-13(3)21/h6,8-9,16H,4-5,7,10-12H2,1-3H3,(H,17,21)/t16-/m1/s1
InChIKeySTMXKSBIHYLNRQ-MRXNPFEDSA-N
MW354.48 g/mol
LogP1.44
Rot. Bonds7

About N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 125003728) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID125003728
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1
InChIInChI=1S/C16H26N4O3S/c1-4-19(5-2)24(22,23)20-11-7-10-16(20)15-9-6-8-14(18-15)12-17-13(3)21/h6,8-9,16H,4-5,7,10-12H2,1-3H3,(H,17,21)/t16-/m1/s1
InChIKeySTMXKSBIHYLNRQ-MRXNPFEDSA-N
XLogP1.44
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 125003728) is N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1.
What is the InChIKey of N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is STMXKSBIHYLNRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-19(5-2)24(22,23)20-11-7-10-16(20)15-9-6-8-14(18-15)12-17-13(3)21/h6,8-9,16H,4-5,7,10-12H2,1-3H3,(H,17,21)/t16-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 125003728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).