N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C13H18ClNOS — CID 102649361

IUPACN-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-2-8-15-13(10-5-3-4-9-16-10)11-6-7-12(14)17-11/h5-7,13,15H,2-4,8-9H2,1H3
InChIKeyUNLVBQXNDYLXTH-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.14
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102649361) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102649361
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-2-8-15-13(10-5-3-4-9-16-10)11-6-7-12(14)17-11/h5-7,13,15H,2-4,8-9H2,1H3
InChIKeyUNLVBQXNDYLXTH-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653168
N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653122
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102649361) is N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is UNLVBQXNDYLXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-2-8-15-13(10-5-3-4-9-16-10)11-6-7-12(14)17-11/h5-7,13,15H,2-4,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102649361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).