[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol

C11H15NO4S — CID 114413744

IUPAC[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
SMILESCc1oc(CO)cc1S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C11H15NO4S/c1-9-11(7-10(8-13)16-9)17(14,15)12-5-3-2-4-6-12/h2-3,7,13H,4-6,8H2,1H3
InChIKeyXYJGHQPTOLOLNR-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.03
Rot. Bonds3

About [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol

[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol (PubChem CID 114413744) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
PubChem CID114413744
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
SMILESCc1oc(CO)cc1S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C11H15NO4S/c1-9-11(7-10(8-13)16-9)17(14,15)12-5-3-2-4-6-12/h2-3,7,13H,4-6,8H2,1H3
InChIKeyXYJGHQPTOLOLNR-UHFFFAOYSA-N
XLogP1.03
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)furan-2-yl]methyl]ethanamine
CID 114414123
[5-bromo-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114413836
3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-ethylbenzoic acid
CID 114408300
[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
CID 114413737
4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
CID 39733408
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
CID 79187132
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]ethanamine
CID 114414026
5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-methylbenzoic acid
CID 114408252
2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
CID 114413752
1-[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]-N-methylmethanamine
CID 114413890
1-[5-bromo-4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]-N-methylmethanamine
CID 114413955
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
CID 106317132

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol?
The IUPAC name of [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol (CID 114413744) is [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol?
The canonical SMILES for [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol is Cc1oc(CO)cc1S(=O)(=O)N1CC=CCC1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol?
The InChIKey is XYJGHQPTOLOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-11(7-10(8-13)16-9)17(14,15)12-5-3-2-4-6-12/h2-3,7,13H,4-6,8H2,1H3.
What are the key properties of [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol?
[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol has a molecular weight of 257.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol is sourced from PubChem (CID 114413744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).