N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine

C13H28N2O2S2 — CID 66383426

IUPACN-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-3-4-5-6-7-14-8-9-15-10-11-18-12-13(15)19(2,16)17/h13-14H,3-12H2,1-2H3
InChIKeySGWJDRYXLPYDKR-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.58
Rot. Bonds9

About N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine

N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine (PubChem CID 66383426) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
PubChem CID66383426
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC NameN-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-3-4-5-6-7-14-8-9-15-10-11-18-12-13(15)19(2,16)17/h13-14H,3-12H2,1-2H3
InChIKeySGWJDRYXLPYDKR-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-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
3-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]aniline
CID 66384766
1-butoxy-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 107263917
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine (CID 66383426) is N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine is CCCCCCNCCN1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine?
The InChIKey is SGWJDRYXLPYDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-3-4-5-6-7-14-8-9-15-10-11-18-12-13(15)19(2,16)17/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine?
N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-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 N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 66383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).