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

C9H15ClN4O2S — CID 35287935

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)13(2)7-11-9/h7H,3-6H2,1-2H3
InChIKeyDDVNJJWBWQUPPH-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.01
Rot. Bonds2

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

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine (PubChem CID 35287935) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
PubChem CID35287935
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.76 g/mol
Exact Mass278.06
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)13(2)7-11-9/h7H,3-6H2,1-2H3
InChIKeyDDVNJJWBWQUPPH-UHFFFAOYSA-N
XLogP0.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-1-methyl-1H-imidazole-4-sulfonyl chloride
CID 16771964
5-Chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 35289039
4-(5-Chloro-1-methylimidazol-4-yl)sulfonylmorpholine
CID 35290915
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
CID 43415123
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
CID 43415221
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine
CID 43421729
5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
CID 47164365
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
CID 51683231
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43430604
5-chloro-N-(2-cyanopropyl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 47298799
5-chloro-1-methyl-1H-imidazole-4-sulfonamide
CID 1214440
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303030

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine (CID 35287935) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine?
The InChIKey is DDVNJJWBWQUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)13(2)7-11-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine has a molecular weight of 278.76 g/mol, XLogP of 0.01, 2 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-methylpiperazine is sourced from PubChem (CID 35287935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).