4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide

C11H16N2O4S — CID 5307412

IUPAC4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1
InChIInChI=1S/C11H16N2O4S/c1-8-3-2-4-13(6-8)18(15,16)9-5-10(11(12)14)17-7-9/h5,7-8H,2-4,6H2,1H3,(H2,12,14)
InChIKeyVCNFWQMEKLVDPK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.80
Rot. Bonds3

About 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide

4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide (PubChem CID 5307412) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide
PubChem CID5307412
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1
InChIInChI=1S/C11H16N2O4S/c1-8-3-2-4-13(6-8)18(15,16)9-5-10(11(12)14)17-7-9/h5,7-8H,2-4,6H2,1H3,(H2,12,14)
InChIKeyVCNFWQMEKLVDPK-UHFFFAOYSA-N
XLogP0.80
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
[4-(3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134018876
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide (CID 5307412) is 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide is CC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide?
The InChIKey is VCNFWQMEKLVDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-3-2-4-13(6-8)18(15,16)9-5-10(11(12)14)17-7-9/h5,7-8H,2-4,6H2,1H3,(H2,12,14).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide?
4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide is sourced from PubChem (CID 5307412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).