1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine

C15H25NO2S — CID 99949765

IUPAC1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine
SMILESCC(C)Cc1ccc(CN(C)C[C@H]2COCCO2)s1
InChIInChI=1S/C15H25NO2S/c1-12(2)8-14-4-5-15(19-14)10-16(3)9-13-11-17-6-7-18-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m0/s1
InChIKeyVCQODIKTFMSTJR-ZDUSSCGKSA-N
MW283.44 g/mol
LogP2.79
Rot. Bonds6

About 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine

1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine (PubChem CID 99949765) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine
PubChem CID99949765
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine
SMILESCC(C)Cc1ccc(CN(C)C[C@H]2COCCO2)s1
InChIInChI=1S/C15H25NO2S/c1-12(2)8-14-4-5-15(19-14)10-16(3)9-13-11-17-6-7-18-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m0/s1
InChIKeyVCQODIKTFMSTJR-ZDUSSCGKSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine with MolForge

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Related Compounds

4-[(5-Methylthiophen-2-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746260
(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161323
(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163327
(3S)-1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 99940469
(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 164632660
N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 164633772
(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
CID 164642156
4-Methyl-4-(1-thiophen-2-ylcyclohexyl)morpholin-4-ium
CID 210778
4-[(5-Butyl-2-thienyl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
(2S)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551364
(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551365
1-{Benzyl[(5-methyl-2-thienyl)methyl]amino}-3-isopropoxy-2-propanol
CID 24713497

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine?
The IUPAC name of 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine (CID 99949765) is 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine is CC(C)Cc1ccc(CN(C)C[C@H]2COCCO2)s1.
What is the InChIKey of 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine?
The InChIKey is VCQODIKTFMSTJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)8-14-4-5-15(19-14)10-16(3)9-13-11-17-6-7-18-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine?
1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine is sourced from PubChem (CID 99949765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).