N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

C16H25N3O2S — CID 56758604

IUPACN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCCc1ccc(CN2CCC(CNS(=O)(=O)C3CC3)C2)nc1
InChIInChI=1S/C16H25N3O2S/c1-2-13-3-4-15(17-9-13)12-19-8-7-14(11-19)10-18-22(20,21)16-5-6-16/h3-4,9,14,16,18H,2,5-8,10-12H2,1H3
InChIKeyZEFJRXRFKQMKSQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.55
Rot. Bonds7

About N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 56758604) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID56758604
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCCc1ccc(CN2CCC(CNS(=O)(=O)C3CC3)C2)nc1
InChIInChI=1S/C16H25N3O2S/c1-2-13-3-4-15(17-9-13)12-19-8-7-14(11-19)10-18-22(20,21)16-5-6-16/h3-4,9,14,16,18H,2,5-8,10-12H2,1H3
InChIKeyZEFJRXRFKQMKSQ-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (CID 56758604) is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is CCc1ccc(CN2CCC(CNS(=O)(=O)C3CC3)C2)nc1.
What is the InChIKey of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is ZEFJRXRFKQMKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-13-3-4-15(17-9-13)12-19-8-7-14(11-19)10-18-22(20,21)16-5-6-16/h3-4,9,14,16,18H,2,5-8,10-12H2,1H3.
What are the key properties of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 56758604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).