1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine

C14H16ClNO3S2 — CID 81043163

IUPAC1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESO=S1(=O)CCCC1CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c15-13-6-5-12(20-13)14(11-4-1-7-19-11)16-9-10-3-2-8-21(10,17)18/h1,4-7,10,14,16H,2-3,8-9H2
InChIKeyDNDKDEUPOMVLSD-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine

1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 81043163) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID81043163
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESO=S1(=O)CCCC1CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c15-13-6-5-12(20-13)14(11-4-1-7-19-11)16-9-10-3-2-8-21(10,17)18/h1,4-7,10,14,16H,2-3,8-9H2
InChIKeyDNDKDEUPOMVLSD-UHFFFAOYSA-N
XLogP3.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine with MolForge

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Related Compounds

3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclopentyl]methanol
CID 106359565
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
CID 106359817
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
CID 83008954

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine (CID 81043163) is 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine is O=S1(=O)CCCC1CNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is DNDKDEUPOMVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c15-13-6-5-12(20-13)14(11-4-1-7-19-11)16-9-10-3-2-8-21(10,17)18/h1,4-7,10,14,16H,2-3,8-9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine?
1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 345.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 81043163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).