3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide

C14H24N2O3S2 — CID 131891596

IUPAC3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)N(C)Cc2sccc2C)C1
InChIInChI=1S/C14H24N2O3S2/c1-12-6-8-20-14(12)10-15(2)21(17,18)16-7-4-5-13(9-16)11-19-3/h6,8,13H,4-5,7,9-11H2,1-3H3
InChIKeyOINHVZZAMQHBEB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.09
Rot. Bonds6

About 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide

3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 131891596) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID131891596
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)N(C)Cc2sccc2C)C1
InChIInChI=1S/C14H24N2O3S2/c1-12-6-8-20-14(12)10-15(2)21(17,18)16-7-4-5-13(9-16)11-19-3/h6,8,13H,4-5,7,9-11H2,1-3H3
InChIKeyOINHVZZAMQHBEB-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide (CID 131891596) is 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide is COCC1CCCN(S(=O)(=O)N(C)Cc2sccc2C)C1.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is OINHVZZAMQHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-12-6-8-20-14(12)10-15(2)21(17,18)16-7-4-5-13(9-16)11-19-3/h6,8,13H,4-5,7,9-11H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 131891596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).