N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide

C12H17ClN2O2S — CID 122501532

IUPACN-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)Cc2cc(Cl)ncc2O1
InChIInChI=1S/C12H17ClN2O2S/c1-11(2,3)18(16)15-12(4)6-8-5-10(13)14-7-9(8)17-12/h5,7,15H,6H2,1-4H3
InChIKeyOVOCOXMRXIELHI-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.44
Rot. Bonds2

About N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide

N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 122501532) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID122501532
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)Cc2cc(Cl)ncc2O1
InChIInChI=1S/C12H17ClN2O2S/c1-11(2,3)18(16)15-12(4)6-8-5-10(13)14-7-9(8)17-12/h5,7,15H,6H2,1-4H3
InChIKeyOVOCOXMRXIELHI-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide
CID 122501530
5-Chloro-2,3-dihydrofuro[2,3-c]pyridine
CID 10534909
2-Chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459045
2-Chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 23227074
2-Chloro-3-ethyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 23227116
5-(1-Ethoxyvinyl)-6-chloro-3-(2-(S)-pyrrolidinylmethoxy)pyridine
CID 53965455
2-chloro-3-ethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54160528
2-chloro-3-ethyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54160529
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-chloro-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54425007
2-chloro-3-propyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54425008
2-chloro-4-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 59536624

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide (CID 122501532) is N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide is CC1(NS(=O)C(C)(C)C)Cc2cc(Cl)ncc2O1.
What is the InChIKey of N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is OVOCOXMRXIELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-11(2,3)18(16)15-12(4)6-8-5-10(13)14-7-9(8)17-12/h5,7,15H,6H2,1-4H3.
What are the key properties of N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide?
N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 288.80 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-3H-furo[2,3-c]pyridin-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122501532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).