(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

C19H32N2OS — CID 164632660

IUPAC(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESC[C@@H](CN(C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1
InChIInChI=1S/C19H32N2OS/c1-16(21-10-12-22-13-11-21)14-20(2)15-18-8-9-19(23-18)17-6-4-3-5-7-17/h8-9,16-17H,3-7,10-15H2,1-2H3/t16-/m0/s1
InChIKeyVNXHLBQOEGIKJN-INIZCTEOSA-N
MW336.55 g/mol
LogP3.95
Rot. Bonds6

About (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 164632660) has the molecular formula C19H32N2OS and a molecular weight of 336.55 g/mol. Its IUPAC name is (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID164632660
Molecular FormulaC19H32N2OS
Molecular Weight336.55 g/mol
Exact Mass336.22
IUPAC Name(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESC[C@@H](CN(C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1
InChIInChI=1S/C19H32N2OS/c1-16(21-10-12-22-13-11-21)14-20(2)15-18-8-9-19(23-18)17-6-4-3-5-7-17/h8-9,16-17H,3-7,10-15H2,1-2H3/t16-/m0/s1
InChIKeyVNXHLBQOEGIKJN-INIZCTEOSA-N
XLogP3.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (CID 164632660) is (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is C[C@@H](CN(C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1.
What is the InChIKey of (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is VNXHLBQOEGIKJN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N2OS/c1-16(21-10-12-22-13-11-21)14-20(2)15-18-8-9-19(23-18)17-6-4-3-5-7-17/h8-9,16-17H,3-7,10-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 336.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 164632660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).