(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine

C11H24N2O2S2 — CID 112736888

IUPAC(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
SMILESCCCC[C@H](N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-3-4-5-10(12)8-13-6-7-16-9-11(13)17(2,14)15/h10-11H,3-9,12H2,1-2H3/t10-,11?/m0/s1
InChIKeyMBVNXXWVYJTKPR-VUWPPUDQSA-N
MW280.46 g/mol
LogP0.92
Rot. Bonds6

About (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine

(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine (PubChem CID 112736888) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
PubChem CID112736888
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
SMILESCCCC[C@H](N)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-3-4-5-10(12)8-13-6-7-16-9-11(13)17(2,14)15/h10-11H,3-9,12H2,1-2H3/t10-,11?/m0/s1
InChIKeyMBVNXXWVYJTKPR-VUWPPUDQSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
CID 66377574
1-butoxy-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 107263917
N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
CID 66383426
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
CID 66383750
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
CID 66382008
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine?
The IUPAC name of (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine (CID 112736888) is (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine.
What is the SMILES notation for (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine?
The canonical SMILES for (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine is CCCC[C@H](N)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine?
The InChIKey is MBVNXXWVYJTKPR-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-3-4-5-10(12)8-13-6-7-16-9-11(13)17(2,14)15/h10-11H,3-9,12H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine?
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine is sourced from PubChem (CID 112736888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).