2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine

C14H30N2O2S2 — CID 66381952

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S2/c1-4-7-14(12-15,8-5-2)16-9-10-19-11-13(16)20(17,18)6-3/h13H,4-12,15H2,1-3H3
InChIKeyNIHNGSAMUMMKGN-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.09
Rot. Bonds8

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine (PubChem CID 66381952) has the molecular formula C14H30N2O2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine
PubChem CID66381952
Molecular FormulaC14H30N2O2S2
Molecular Weight322.54 g/mol
Exact Mass322.17
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S2/c1-4-7-14(12-15,8-5-2)16-9-10-19-11-13(16)20(17,18)6-3/h13H,4-12,15H2,1-3H3
InChIKeyNIHNGSAMUMMKGN-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine (CID 66381952) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine is CCCC(CN)(CCC)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine?
The InChIKey is NIHNGSAMUMMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S2/c1-4-7-14(12-15,8-5-2)16-9-10-19-11-13(16)20(17,18)6-3/h13H,4-12,15H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine has a molecular weight of 322.54 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 66381952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).