N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide

C10H20N4O2S — CID 134043550

IUPACN-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H20N4O2S/c1-3-13-7-9-14(10-8-13)17(15,16)12(2)6-4-5-11/h3-4,6-10H2,1-2H3
InChIKeyYDKOXBIZZAPNKC-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.29
Rot. Bonds5

About N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide

N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide (PubChem CID 134043550) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide
PubChem CID134043550
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(=O)(=O)N(C)CCC#N)CC1
InChIInChI=1S/C10H20N4O2S/c1-3-13-7-9-14(10-8-13)17(15,16)12(2)6-4-5-11/h3-4,6-10H2,1-2H3
InChIKeyYDKOXBIZZAPNKC-UHFFFAOYSA-N
XLogP-0.29
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide (CID 134043550) is N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide is CCN1CCN(S(=O)(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is YDKOXBIZZAPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-13-7-9-14(10-8-13)17(15,16)12(2)6-4-5-11/h3-4,6-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide?
N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 134043550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).