2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine

C15H32N2O2S2 — CID 66383124

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
SMILESCCCCCCCC(CN)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C15H32N2O2S2/c1-3-5-6-7-8-9-14(12-16)17-10-11-20-13-15(17)21(18,19)4-2/h14-15H,3-13,16H2,1-2H3
InChIKeyWDJNJQYURIHCQD-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.48
Rot. Bonds10

About 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine (PubChem CID 66383124) has the molecular formula C15H32N2O2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
PubChem CID66383124
Molecular FormulaC15H32N2O2S2
Molecular Weight336.57 g/mol
Exact Mass336.19
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
SMILESCCCCCCCC(CN)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C15H32N2O2S2/c1-3-5-6-7-8-9-14(12-16)17-10-11-20-13-15(17)21(18,19)4-2/h14-15H,3-13,16H2,1-2H3
InChIKeyWDJNJQYURIHCQD-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.48
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

3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
2-(3-ethylsulfonylthiomorpholin-4-yl)butanethioamide
CID 66384091
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226872
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
5-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpentan-1-one
CID 104685275
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine (CID 66383124) is 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine is CCCCCCCC(CN)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine?
The InChIKey is WDJNJQYURIHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S2/c1-3-5-6-7-8-9-14(12-16)17-10-11-20-13-15(17)21(18,19)4-2/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine has a molecular weight of 336.57 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine is sourced from PubChem (CID 66383124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).