1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine

C15H25N3O4S — CID 24790290

IUPAC1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCc1cc(C)c(C(=O)N2CCCC(CNS(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C15H25N3O4S/c1-11-8-12(2)22-14(11)15(19)18-7-5-6-13(10-18)9-16-23(20,21)17(3)4/h8,13,16H,5-7,9-10H2,1-4H3
InChIKeyKSYMBHRZMAYREH-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.14
Rot. Bonds5

About 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine

1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine (PubChem CID 24790290) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine
PubChem CID24790290
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCc1cc(C)c(C(=O)N2CCCC(CNS(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C15H25N3O4S/c1-11-8-12(2)22-14(11)15(19)18-7-5-6-13(10-18)9-16-23(20,21)17(3)4/h8,13,16H,5-7,9-10H2,1-4H3
InChIKeyKSYMBHRZMAYREH-UHFFFAOYSA-N
XLogP1.14
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine (CID 24790290) is 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine is Cc1cc(C)c(C(=O)N2CCCC(CNS(=O)(=O)N(C)C)C2)o1.
What is the InChIKey of 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine?
The InChIKey is KSYMBHRZMAYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11-8-12(2)22-14(11)15(19)18-7-5-6-13(10-18)9-16-23(20,21)17(3)4/h8,13,16H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine?
1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine has a molecular weight of 343.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylfuran-2-carbonyl)-3-[(dimethylsulfamoylamino)methyl]piperidine is sourced from PubChem (CID 24790290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).