N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine

C12H19NO3S — CID 64673696

IUPACN-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
SMILESCOc1ccccc1S(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H19NO3S/c1-10(2)13-8-9-17(14,15)12-7-5-4-6-11(12)16-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyDYLQWMSINWAOCP-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine

N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine (PubChem CID 64673696) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
PubChem CID64673696
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
SMILESCOc1ccccc1S(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H19NO3S/c1-10(2)13-8-9-17(14,15)12-7-5-4-6-11(12)16-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyDYLQWMSINWAOCP-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine (CID 64673696) is N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine is COc1ccccc1S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine?
The InChIKey is DYLQWMSINWAOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10(2)13-8-9-17(14,15)12-7-5-4-6-11(12)16-3/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine?
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine is sourced from PubChem (CID 64673696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).