4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide

C13H25N5O2S — CID 90561908

IUPAC4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H25N5O2S/c1-4-13-14-5-6-17(13)10-7-16-8-11-18(12-9-16)21(19,20)15(2)3/h5-6H,4,7-12H2,1-3H3
InChIKeyKDVJCXMIUZBOTH-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.13
Rot. Bonds6

About 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 90561908) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID90561908
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H25N5O2S/c1-4-13-14-5-6-17(13)10-7-16-8-11-18(12-9-16)21(19,20)15(2)3/h5-6H,4,7-12H2,1-3H3
InChIKeyKDVJCXMIUZBOTH-UHFFFAOYSA-N
XLogP-0.13
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 90561908) is 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide is CCc1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is KDVJCXMIUZBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-13-14-5-6-17(13)10-7-16-8-11-18(12-9-16)21(19,20)15(2)3/h5-6H,4,7-12H2,1-3H3.
What are the key properties of 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of -0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 90561908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).