7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one

C16H19NO5S — CID 92501766

IUPAC7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one
SMILESCOc1ccc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)c(=O)oc2c1
InChIInChI=1S/C16H19NO5S/c1-11-4-3-7-17(10-11)23(19,20)15-8-12-5-6-13(21-2)9-14(12)22-16(15)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyJNMPLMDVNNZKIP-LLVKDONJSA-N
MW337.40 g/mol
LogP2.22
Rot. Bonds3

About 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one

7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one (PubChem CID 92501766) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one
PubChem CID92501766
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one
SMILESCOc1ccc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)c(=O)oc2c1
InChIInChI=1S/C16H19NO5S/c1-11-4-3-7-17(10-11)23(19,20)15-8-12-5-6-13(21-2)9-14(12)22-16(15)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyJNMPLMDVNNZKIP-LLVKDONJSA-N
XLogP2.22
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
CID 20931234
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
(4-methoxyphenyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 18207366
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one?
The IUPAC name of 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one (CID 92501766) is 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one.
What is the SMILES notation for 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one?
The canonical SMILES for 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one is COc1ccc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one?
The InChIKey is JNMPLMDVNNZKIP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11-4-3-7-17(10-11)23(19,20)15-8-12-5-6-13(21-2)9-14(12)22-16(15)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one?
7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one has a molecular weight of 337.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one is sourced from PubChem (CID 92501766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).