3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride

C13H24ClN5O3S — CID 120873146

IUPAC3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cn1C.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(14)8-13(19)17-4-6-18(7-5-17)22(20,21)12-9-16(3)11(2)15-12;/h9-10H,4-8,14H2,1-3H3;1H
InChIKeyQUTVZPZHRVTWKU-UHFFFAOYSA-N
MW365.89 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride

3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 120873146) has the molecular formula C13H24ClN5O3S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
PubChem CID120873146
Molecular FormulaC13H24ClN5O3S
Molecular Weight365.89 g/mol
Exact Mass365.13
IUPAC Name3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cn1C.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(14)8-13(19)17-4-6-18(7-5-17)22(20,21)12-9-16(3)11(2)15-12;/h9-10H,4-8,14H2,1-3H3;1H
InChIKeyQUTVZPZHRVTWKU-UHFFFAOYSA-N
XLogP-0.28
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 120873149
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-amine
CID 63340970
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
3-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 119696008
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 49320695
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341210

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride (CID 120873146) is 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride is Cc1nc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cn1C.Cl.
What is the InChIKey of 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is QUTVZPZHRVTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S.ClH/c1-10(14)8-13(19)17-4-6-18(7-5-17)22(20,21)12-9-16(3)11(2)15-12;/h9-10H,4-8,14H2,1-3H3;1H.
What are the key properties of 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 120873146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).