[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine

C10H22N2OS — CID 114395168

IUPAC[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
SMILESCCSCCCN1CCOC(CN)C1
InChIInChI=1S/C10H22N2OS/c1-2-14-7-3-4-12-5-6-13-10(8-11)9-12/h10H,2-9,11H2,1H3
InChIKeyXBFSABNQVQCKEH-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.79
Rot. Bonds6

About [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine

[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine (PubChem CID 114395168) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
PubChem CID114395168
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
SMILESCCSCCCN1CCOC(CN)C1
InChIInChI=1S/C10H22N2OS/c1-2-14-7-3-4-12-5-6-13-10(8-11)9-12/h10H,2-9,11H2,1H3
InChIKeyXBFSABNQVQCKEH-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
CID 114398814
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106713456
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
CID 114398749
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine
CID 120844457
(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
CID 97260572
5-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82017099

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine (CID 114395168) is [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine is CCSCCCN1CCOC(CN)C1.
What is the InChIKey of [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine?
The InChIKey is XBFSABNQVQCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-2-14-7-3-4-12-5-6-13-10(8-11)9-12/h10H,2-9,11H2,1H3.
What are the key properties of [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine?
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine has a molecular weight of 218.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114395168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).