(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine

C15H24N2OS — CID 67069266

IUPAC(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
SMILESCc1ccc(SC[C@H](N)CCN2CCOCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-13-2-4-15(5-3-13)19-12-14(16)6-7-17-8-10-18-11-9-17/h2-5,14H,6-12,16H2,1H3/t14-/m1/s1
InChIKeyYXDZAYOIIJETDI-CQSZACIVSA-N
MW280.44 g/mol
LogP2.14
Rot. Bonds6

About (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine

(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine (PubChem CID 67069266) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
PubChem CID67069266
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
SMILESCc1ccc(SC[C@H](N)CCN2CCOCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-13-2-4-15(5-3-13)19-12-14(16)6-7-17-8-10-18-11-9-17/h2-5,14H,6-12,16H2,1H3/t14-/m1/s1
InChIKeyYXDZAYOIIJETDI-CQSZACIVSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
(2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine
CID 175839759
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
CID 71503885
1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
CID 10265632
2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutanoic acid
CID 57349289
4-morpholin-4-ylbutane-1,2-diamine
CID 154463097
4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-phenylsulfanylbutan-2-amine
CID 130244453
6,6,6-trifluoro-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 113327090
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[(3R)-3-amino-4-phenylsulfanylbutyl]azetidin-3-ol
CID 71503886

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine (CID 67069266) is (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine is Cc1ccc(SC[C@H](N)CCN2CCOCC2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The InChIKey is YXDZAYOIIJETDI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13-2-4-15(5-3-13)19-12-14(16)6-7-17-8-10-18-11-9-17/h2-5,14H,6-12,16H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 67069266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).