1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine

C16H19NO3S — CID 168527732

IUPAC1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C16H19NO3S/c1-13-8-10-17(11-9-13)21(18,19)15-6-4-14(5-7-15)16-3-2-12-20-16/h2-7,12-13H,8-11H2,1H3
InChIKeyDHZRPFHEXZGMAQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine

1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine (PubChem CID 168527732) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
PubChem CID168527732
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C16H19NO3S/c1-13-8-10-17(11-9-13)21(18,19)15-6-4-14(5-7-15)16-3-2-12-20-16/h2-7,12-13H,8-11H2,1H3
InChIKeyDHZRPFHEXZGMAQ-UHFFFAOYSA-N
XLogP3.37
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 6497485

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine (CID 168527732) is 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine?
The InChIKey is DHZRPFHEXZGMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-8-10-17(11-9-13)21(18,19)15-6-4-14(5-7-15)16-3-2-12-20-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine?
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine has a molecular weight of 305.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 168527732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).