6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine

C13H28N2O2S2 — CID 66375798

IUPAC6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCCNC
InChIInChI=1S/C13H28N2O2S2/c1-3-19(16,17)13-12-18-11-10-15(13)9-7-5-4-6-8-14-2/h13-14H,3-12H2,1-2H3
InChIKeyHNPITRUZAFWONA-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.58
Rot. Bonds9

About 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine

6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine (PubChem CID 66375798) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
PubChem CID66375798
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCCNC
InChIInChI=1S/C13H28N2O2S2/c1-3-19(16,17)13-12-18-11-10-15(13)9-7-5-4-6-8-14-2/h13-14H,3-12H2,1-2H3
InChIKeyHNPITRUZAFWONA-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.58
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

4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine?
The IUPAC name of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine (CID 66375798) is 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine is CCS(=O)(=O)C1CSCCN1CCCCCCNC.
What is the InChIKey of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine?
The InChIKey is HNPITRUZAFWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-3-19(16,17)13-12-18-11-10-15(13)9-7-5-4-6-8-14-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine?
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 66375798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).