2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H23NS2 — CID 80722107

IUPAC2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1(C)CCCS1)c1cccs1
InChIInChI=1S/C14H23NS2/c1-11(2)13(12-6-4-8-16-12)15-10-14(3)7-5-9-17-14/h4,6,8,11,13,15H,5,7,9-10H2,1-3H3
InChIKeyPUGRYHZAZQAQSU-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 80722107) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID80722107
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1(C)CCCS1)c1cccs1
InChIInChI=1S/C14H23NS2/c1-11(2)13(12-6-4-8-16-12)15-10-14(3)7-5-9-17-14/h4,6,8,11,13,15H,5,7,9-10H2,1-3H3
InChIKeyPUGRYHZAZQAQSU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81413063
N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
CID 80527869
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
3-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 80722369
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 80722107) is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCC1(C)CCCS1)c1cccs1.
What is the InChIKey of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is PUGRYHZAZQAQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-11(2)13(12-6-4-8-16-12)15-10-14(3)7-5-9-17-14/h4,6,8,11,13,15H,5,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).