1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C15H23NS — CID 107166073

IUPAC1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCC2CCSC2)c(C)c1
InChIInChI=1S/C15H23NS/c1-11-6-12(2)15(13(3)7-11)9-16-8-14-4-5-17-10-14/h6-7,14,16H,4-5,8-10H2,1-3H3
InChIKeyAWRJRHDUNTUQGD-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.45
Rot. Bonds4

About 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 107166073) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID107166073
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCC2CCSC2)c(C)c1
InChIInChI=1S/C15H23NS/c1-11-6-12(2)15(13(3)7-11)9-16-8-14-4-5-17-10-14/h6-7,14,16H,4-5,8-10H2,1-3H3
InChIKeyAWRJRHDUNTUQGD-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-[(4-fluoro-2-methylphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295164
N-[(2,6-dimethoxyphenyl)methyl]-1-[(3S)-thiolan-3-yl]methanamine
CID 125142903
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980
3,5-difluoro-4-[(thiolan-3-ylmethylamino)methyl]benzonitrile
CID 107295415
3-chloro-2-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295498
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295484
N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 107166073) is 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCC2CCSC2)c(C)c1.
What is the InChIKey of 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is AWRJRHDUNTUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-6-12(2)15(13(3)7-11)9-16-8-14-4-5-17-10-14/h6-7,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine has a molecular weight of 249.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 107166073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).