[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine

C14H22N2OS — CID 120844457

IUPAC[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine
SMILESNCC1CN(CCSCc2ccccc2)CCO1
InChIInChI=1S/C14H22N2OS/c15-10-14-11-16(6-8-17-14)7-9-18-12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeyVVJWTJWVZSJOPC-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.58
Rot. Bonds6

About [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine

[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine (PubChem CID 120844457) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine
PubChem CID120844457
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine
SMILESNCC1CN(CCSCc2ccccc2)CCO1
InChIInChI=1S/C14H22N2OS/c15-10-14-11-16(6-8-17-14)7-9-18-12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeyVVJWTJWVZSJOPC-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.58
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

1-(2-benzylsulfanylethyl)pyrrolidin-3-amine
CID 120837473
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
[4-(2-phenylprop-2-enyl)morpholin-2-yl]methanamine
CID 114399002
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
(1R,6R)-4-(2-benzylsulfanylethyl)-6-methyl-1,4-thiazepane 1-oxide
CID 124731801
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 120839732
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine (CID 120844457) is [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine is NCC1CN(CCSCc2ccccc2)CCO1.
What is the InChIKey of [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine?
The InChIKey is VVJWTJWVZSJOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-10-14-11-16(6-8-17-14)7-9-18-12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2.
What are the key properties of [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine?
[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 120844457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).