2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine

C11H24N2O2S2 — CID 66376993

IUPAC2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H24N2O2S2/c1-3-10(7-12)8-13-5-6-16-9-11(13)17(14,15)4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyITMYXIDRHOMUNV-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.78
Rot. Bonds6

About 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine

2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine (PubChem CID 66376993) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
PubChem CID66376993
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H24N2O2S2/c1-3-10(7-12)8-13-5-6-16-9-11(13)17(14,15)4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyITMYXIDRHOMUNV-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
CID 66377574
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368769
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine (CID 66376993) is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine is CCC(CN)CN1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine?
The InChIKey is ITMYXIDRHOMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-3-10(7-12)8-13-5-6-16-9-11(13)17(14,15)4-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine?
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 0.78, 6 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)methyl]butan-1-amine is sourced from PubChem (CID 66376993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).