N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine

C13H17NS2 — CID 65104445

IUPACN-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1csc(C)c1
InChIInChI=1S/C13H17NS2/c1-3-5-14-13(11-4-6-15-8-11)12-7-10(2)16-9-12/h4,6-9,13-14H,3,5H2,1-2H3
InChIKeyDQACVVBFHCICDN-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.21
Rot. Bonds5

About N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 65104445) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID65104445
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1csc(C)c1
InChIInChI=1S/C13H17NS2/c1-3-5-14-13(11-4-6-15-8-11)12-7-10(2)16-9-12/h4,6-9,13-14H,3,5H2,1-2H3
InChIKeyDQACVVBFHCICDN-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
N-[(3-chloro-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991233
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[(6-methyl-2-pyridinyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65104755
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 114282671
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107993607

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 65104445) is N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1csc(C)c1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is DQACVVBFHCICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-3-5-14-13(11-4-6-15-8-11)12-7-10(2)16-9-12/h4,6-9,13-14H,3,5H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 65104445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).