1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine

C11H19ClN4O2S — CID 43415221

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H19ClN4O2S/c1-3-4-15-5-7-16(8-6-15)19(17,18)11-10(12)14(2)9-13-11/h9H,3-8H2,1-2H3
InChIKeyFERDMQRJDRJIQK-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.79
Rot. Bonds4

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine (PubChem CID 43415221) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
PubChem CID43415221
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H19ClN4O2S/c1-3-4-15-5-7-16(8-6-15)19(17,18)11-10(12)14(2)9-13-11/h9H,3-8H2,1-2H3
InChIKeyFERDMQRJDRJIQK-UHFFFAOYSA-N
XLogP0.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine (CID 43415221) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine?
The InChIKey is FERDMQRJDRJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-3-4-15-5-7-16(8-6-15)19(17,18)11-10(12)14(2)9-13-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine has a molecular weight of 306.82 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 43415221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).