(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride

C16H26ClN3O4S — CID 120572033

IUPAC(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
SMILESCc1oc(C(=O)N2CCNC(C)C2C)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11-12(2)19(9-6-17-11)16(20)14-10-15(13(3)23-14)24(21,22)18-7-4-5-8-18;/h10-12,17H,4-9H2,1-3H3;1H
InChIKeyBMUVFKWEGMUEHQ-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.62
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride

(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride (PubChem CID 120572033) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
PubChem CID120572033
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
SMILESCc1oc(C(=O)N2CCNC(C)C2C)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11-12(2)19(9-6-17-11)16(20)14-10-15(13(3)23-14)24(21,22)18-7-4-5-8-18;/h10-12,17H,4-9H2,1-3H3;1H
InChIKeyBMUVFKWEGMUEHQ-UHFFFAOYSA-N
XLogP1.62
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570438
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride (CID 120572033) is (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride is Cc1oc(C(=O)N2CCNC(C)C2C)cc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride?
The InChIKey is BMUVFKWEGMUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-11-12(2)19(9-6-17-11)16(20)14-10-15(13(3)23-14)24(21,22)18-7-4-5-8-18;/h10-12,17H,4-9H2,1-3H3;1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride?
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120572033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).