5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine

C12H26N2O2S2 — CID 104682301

IUPAC5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)CCCN
InChIInChI=1S/C12H26N2O2S2/c1-3-18(15,16)12-10-17-8-7-14(12)9-11(2)5-4-6-13/h11-12H,3-10,13H2,1-2H3
InChIKeyAVQZGTREBYTDEX-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.17
Rot. Bonds7

About 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine

5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine (PubChem CID 104682301) has the molecular formula C12H26N2O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
PubChem CID104682301
Molecular FormulaC12H26N2O2S2
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC Name5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)CCCN
InChIInChI=1S/C12H26N2O2S2/c1-3-18(15,16)12-10-17-8-7-14(12)9-11(2)5-4-6-13/h11-12H,3-10,13H2,1-2H3
InChIKeyAVQZGTREBYTDEX-UHFFFAOYSA-N
XLogP1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
5-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpentan-1-one
CID 104685275
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
CID 66377574
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790
2-acetamido-3-(3-ethylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66377896
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine (CID 104682301) is 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine is CCS(=O)(=O)C1CSCCN1CC(C)CCCN.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The InChIKey is AVQZGTREBYTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S2/c1-3-18(15,16)12-10-17-8-7-14(12)9-11(2)5-4-6-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine?
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine has a molecular weight of 294.49 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 104682301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).