N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine

C15H17NS — CID 114749039

IUPACN-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)csc1-c1ccccc1
InChIInChI=1S/C15H17NS/c1-11-13(9-16-14-7-8-14)10-17-15(11)12-5-3-2-4-6-12/h2-6,10,14,16H,7-9H2,1H3
InChIKeyJQNYSUJLPFHLNF-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.98
Rot. Bonds4

About N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine

N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine (PubChem CID 114749039) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine
PubChem CID114749039
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)csc1-c1ccccc1
InChIInChI=1S/C15H17NS/c1-11-13(9-16-14-7-8-14)10-17-15(11)12-5-3-2-4-6-12/h2-6,10,14,16H,7-9H2,1H3
InChIKeyJQNYSUJLPFHLNF-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967
N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114994384
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine
CID 114749017
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328
N-[[5-phenyl-2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65128657
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine (CID 114749039) is N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine is Cc1c(CNC2CC2)csc1-c1ccccc1.
What is the InChIKey of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine?
The InChIKey is JQNYSUJLPFHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-13(9-16-14-7-8-14)10-17-15(11)12-5-3-2-4-6-12/h2-6,10,14,16H,7-9H2,1H3.
What are the key properties of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine?
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine has a molecular weight of 243.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).