N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine

C19H32N2O4S — CID 23723380

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC
InChIInChI=1S/C19H32N2O4S/c1-15(2)26(22,23)21-11-6-7-17(14-21)20(3)12-10-16-8-9-18(24-4)19(13-16)25-5/h8-9,13,15,17H,6-7,10-12,14H2,1-5H3
InChIKeyVVZJDGOCGWUSPU-UHFFFAOYSA-N
MW384.54 g/mol
LogP2.38
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine (PubChem CID 23723380) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine
PubChem CID23723380
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC
InChIInChI=1S/C19H32N2O4S/c1-15(2)26(22,23)21-11-6-7-17(14-21)20(3)12-10-16-8-9-18(24-4)19(13-16)25-5/h8-9,13,15,17H,6-7,10-12,14H2,1-5H3
InChIKeyVVZJDGOCGWUSPU-UHFFFAOYSA-N
XLogP2.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine (CID 23723380) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine is COc1ccc(CCN(C)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine?
The InChIKey is VVZJDGOCGWUSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-15(2)26(22,23)21-11-6-7-17(14-21)20(3)12-10-16-8-9-18(24-4)19(13-16)25-5/h8-9,13,15,17H,6-7,10-12,14H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine has a molecular weight of 384.54 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propan-2-ylsulfonylpiperidin-3-amine is sourced from PubChem (CID 23723380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).