2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C14H18ClNO4S — CID 107392530

IUPAC2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOC1(C)CCCN(C(=O)c2ccccc2S(=O)(=O)Cl)C1
InChIInChI=1S/C14H18ClNO4S/c1-14(20-2)8-5-9-16(10-14)13(17)11-6-3-4-7-12(11)21(15,18)19/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyFGOIDLJLQZCLLT-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.26
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 107392530) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID107392530
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOC1(C)CCCN(C(=O)c2ccccc2S(=O)(=O)Cl)C1
InChIInChI=1S/C14H18ClNO4S/c1-14(20-2)8-5-9-16(10-14)13(17)11-6-3-4-7-12(11)21(15,18)19/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyFGOIDLJLQZCLLT-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 18071831
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 107390980
(3-chloro-2-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392248
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392487
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 107392530) is 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is COC1(C)CCCN(C(=O)c2ccccc2S(=O)(=O)Cl)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is FGOIDLJLQZCLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-14(20-2)8-5-9-16(10-14)13(17)11-6-3-4-7-12(11)21(15,18)19/h3-4,6-7H,5,8-10H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 107392530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).