4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine

C13H28N2O2S2 — CID 66376796

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O2S2/c1-6-19(16,17)11-9-18-8-7-15(11)10-12(2,3)13(4,5)14/h11H,6-10,14H2,1-5H3
InChIKeyVJECQABIGAHBHT-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.56
Rot. Bonds5

About 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine

4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine (PubChem CID 66376796) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
PubChem CID66376796
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O2S2/c1-6-19(16,17)11-9-18-8-7-15(11)10-12(2,3)13(4,5)14/h11H,6-10,14H2,1-5H3
InChIKeyVJECQABIGAHBHT-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790
1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66383135
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
1-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66377381
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine (CID 66376796) is 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine is CCS(=O)(=O)C1CSCCN1CC(C)(C)C(C)(C)N.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The InChIKey is VJECQABIGAHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-6-19(16,17)11-9-18-8-7-15(11)10-12(2,3)13(4,5)14/h11H,6-10,14H2,1-5H3.
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine has a molecular weight of 308.51 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 66376796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).