N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine

C13H21NS2 — CID 105100681

IUPACN-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1(C)CCCS1
InChIInChI=1S/C13H21NS2/c1-3-8-14-12(11-6-4-9-15-11)13(2)7-5-10-16-13/h4,6,9,12,14H,3,5,7-8,10H2,1-2H3
InChIKeyBMKLMXXAAZOLPO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.07
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 105100681) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID105100681
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1(C)CCCS1
InChIInChI=1S/C13H21NS2/c1-3-8-14-12(11-6-4-9-15-11)13(2)7-5-10-16-13/h4,6,9,12,14H,3,5,7-8,10H2,1-2H3
InChIKeyBMKLMXXAAZOLPO-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105173124
N-[(4-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105140867
N-[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105167473
N-[(3-cyclobutylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105189636
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
N-[(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105170078
N-[(2-methylthiolan-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189092
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105186138
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 105100681) is N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)C1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is BMKLMXXAAZOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-3-8-14-12(11-6-4-9-15-11)13(2)7-5-10-16-13/h4,6,9,12,14H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 105100681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).