3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine

C13H28N2O2S2 — CID 66377137

IUPAC3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S2/c1-4-6-14-9-12(3)10-15-7-8-18-11-13(15)19(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyQCIYOXKNLNSUCV-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.43
Rot. Bonds8

About 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine

3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 66377137) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID66377137
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S2/c1-4-6-14-9-12(3)10-15-7-8-18-11-13(15)19(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyQCIYOXKNLNSUCV-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226872
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
2-acetamido-3-(3-ethylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66377896
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine (CID 66377137) is 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)CN1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is QCIYOXKNLNSUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-4-6-14-9-12(3)10-15-7-8-18-11-13(15)19(16,17)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine?
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 66377137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).