2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine

C16H26N2OS — CID 57475980

IUPAC2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine
SMILESCC(CN)(CCN1CCOCC1)SCc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(14-17,7-8-18-9-11-19-12-10-18)20-13-15-5-3-2-4-6-15/h2-6H,7-14,17H2,1H3
InChIKeyHQNNFCCKZJDAPE-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.36
Rot. Bonds7

About 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine

2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine (PubChem CID 57475980) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine
PubChem CID57475980
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine
SMILESCC(CN)(CCN1CCOCC1)SCc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(14-17,7-8-18-9-11-19-12-10-18)20-13-15-5-3-2-4-6-15/h2-6H,7-14,17H2,1H3
InChIKeyHQNNFCCKZJDAPE-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-benzylsulfanyl-3-methylbutan-1-ol
CID 57475977
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
CID 10714298
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
CID 118585226
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
CID 24840310
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-morpholin-4-yl-2-phenylpropan-2-amine
CID 62489522
4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
CID 177444989
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine?
The IUPAC name of 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine (CID 57475980) is 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine is CC(CN)(CCN1CCOCC1)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine?
The InChIKey is HQNNFCCKZJDAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(14-17,7-8-18-9-11-19-12-10-18)20-13-15-5-3-2-4-6-15/h2-6H,7-14,17H2,1H3.
What are the key properties of 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine?
2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 57475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).