N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine

C17H29N3O2S — CID 75382777

IUPACN'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCN(S(C)(=O)=O)CC1)c1ccccc1C
InChIInChI=1S/C17H29N3O2S/c1-4-19(17-8-6-5-7-15(17)2)14-11-18-16-9-12-20(13-10-16)23(3,21)22/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyWSBFDBZGZPVVCL-UHFFFAOYSA-N
MW339.50 g/mol
LogP1.83
Rot. Bonds7

About N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 75382777) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID75382777
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCN(S(C)(=O)=O)CC1)c1ccccc1C
InChIInChI=1S/C17H29N3O2S/c1-4-19(17-8-6-5-7-15(17)2)14-11-18-16-9-12-20(13-10-16)23(3,21)22/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyWSBFDBZGZPVVCL-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine (CID 75382777) is N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine is CCN(CCNC1CCN(S(C)(=O)=O)CC1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is WSBFDBZGZPVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-4-19(17-8-6-5-7-15(17)2)14-11-18-16-9-12-20(13-10-16)23(3,21)22/h5-8,16,18H,4,9-14H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 339.50 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 75382777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).