4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine

C11H24N2O2S2 — CID 66382570

IUPAC4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-9(2)6-10(7-12)13-4-5-16-8-11(13)17(3,14)15/h9-11H,4-8,12H2,1-3H3
InChIKeyVUZROITWHIJUFR-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.78
Rot. Bonds5

About 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine

4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (PubChem CID 66382570) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
PubChem CID66382570
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-9(2)6-10(7-12)13-4-5-16-8-11(13)17(3,14)15/h9-11H,4-8,12H2,1-3H3
InChIKeyVUZROITWHIJUFR-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

(3S)-3-(aminomethyl)-5-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-1-one
CID 66384023
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
CID 102730289
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
2-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylethanamine
CID 66381780
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanimidamide
CID 66382008
3-(3-methylsulfonylthiomorpholin-4-yl)pentanimidamide
CID 66382205
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66382953
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
CID 66381881
2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
CID 66383124
3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
CID 66382063

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (CID 66382570) is 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is CC(C)CC(CN)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The InChIKey is VUZROITWHIJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-9(2)6-10(7-12)13-4-5-16-8-11(13)17(3,14)15/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is sourced from PubChem (CID 66382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).