N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine

C18H31N3S — CID 142416761

IUPACN,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine
SMILESC/C=C\C1=C(/C(=C\C)N2CCSCC2)CC(CN(C)C)NC1
InChIInChI=1S/C18H31N3S/c1-5-7-15-13-19-16(14-20(3)4)12-17(15)18(6-2)21-8-10-22-11-9-21/h5-7,16,19H,8-14H2,1-4H3/b7-5-,18-6+
InChIKeyAMCPOTLALVFESS-SRRQOFNWSA-N
MW321.53 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine

N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine (PubChem CID 142416761) has the molecular formula C18H31N3S and a molecular weight of 321.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine
PubChem CID142416761
Molecular FormulaC18H31N3S
Molecular Weight321.53 g/mol
Exact Mass321.22
IUPAC NameN,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine
SMILESC/C=C\C1=C(/C(=C\C)N2CCSCC2)CC(CN(C)C)NC1
InChIInChI=1S/C18H31N3S/c1-5-7-15-13-19-16(14-20(3)4)12-17(15)18(6-2)21-8-10-22-11-9-21/h5-7,16,19H,8-14H2,1-4H3/b7-5-,18-6+
InChIKeyAMCPOTLALVFESS-SRRQOFNWSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine (CID 142416761) is N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine is C/C=C\C1=C(/C(=C\C)N2CCSCC2)CC(CN(C)C)NC1.
What is the InChIKey of N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine?
The InChIKey is AMCPOTLALVFESS-SRRQOFNWSA-N. The full InChI is InChI=1S/C18H31N3S/c1-5-7-15-13-19-16(14-20(3)4)12-17(15)18(6-2)21-8-10-22-11-9-21/h5-7,16,19H,8-14H2,1-4H3/b7-5-,18-6+.
What are the key properties of N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine?
N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine has a molecular weight of 321.53 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine is sourced from PubChem (CID 142416761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).