N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide

C12H20N4O2S — CID 82739369

IUPACN-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O2S/c1-2-11-4-3-5-14-12(11)10-15-19(17,18)16-8-6-13-7-9-16/h3-5,13,15H,2,6-10H2,1H3
InChIKeyADRMAMVNYSWBTP-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.12
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide

N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide (PubChem CID 82739369) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide
PubChem CID82739369
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O2S/c1-2-11-4-3-5-14-12(11)10-15-19(17,18)16-8-6-13-7-9-16/h3-5,13,15H,2,6-10H2,1H3
InChIKeyADRMAMVNYSWBTP-UHFFFAOYSA-N
XLogP-0.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide (CID 82739369) is N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide is CCc1cccnc1CNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide?
The InChIKey is ADRMAMVNYSWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-11-4-3-5-14-12(11)10-15-19(17,18)16-8-6-13-7-9-16/h3-5,13,15H,2,6-10H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide?
N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 82739369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).