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

C11H24N2O2S2 — CID 66381861

IUPACN-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-10(5-4-6-12-2)13-7-8-16-9-11(13)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyXYSNMDRKGZKMNC-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.79
Rot. Bonds6

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

N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (PubChem CID 66381861) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
PubChem CID66381861
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC NameN-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-10(5-4-6-12-2)13-7-8-16-9-11(13)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyXYSNMDRKGZKMNC-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 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 ≤ 50.79
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

N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
CID 66382063
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
CID 66381881
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
4-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-N-propan-2-ylbutan-1-amine
CID 66383682

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The IUPAC name of N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (CID 66381861) is N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The canonical SMILES for N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is CNCCCC(C)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The InChIKey is XYSNMDRKGZKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-10(5-4-6-12-2)13-7-8-16-9-11(13)17(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is sourced from PubChem (CID 66381861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).