(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine

C15H15NOS2 — CID 81403560

IUPAC(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@H](NC(c1cccs1)c1cccs1)c1ccco1
InChIInChI=1S/C15H15NOS2/c1-11(12-5-2-8-17-12)16-15(13-6-3-9-18-13)14-7-4-10-19-14/h2-11,15-16H,1H3/t11-/m0/s1
InChIKeyBMBYCNQAOIQDOS-NSHDSACASA-N
MW289.43 g/mol
LogP4.84
Rot. Bonds5

About (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine

(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine (PubChem CID 81403560) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine
PubChem CID81403560
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@H](NC(c1cccs1)c1cccs1)c1ccco1
InChIInChI=1S/C15H15NOS2/c1-11(12-5-2-8-17-12)16-15(13-6-3-9-18-13)14-7-4-10-19-14/h2-11,15-16H,1H3/t11-/m0/s1
InChIKeyBMBYCNQAOIQDOS-NSHDSACASA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
(1S)-1-(4-bromophenyl)-N-(dithiophen-2-ylmethyl)ethanamine
CID 81356826
(1R)-1-(furan-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 104865982
2-[bromo(thiophen-2-yl)methyl]furan
CID 61098713
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine (CID 81403560) is (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine is C[C@H](NC(c1cccs1)c1cccs1)c1ccco1.
What is the InChIKey of (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The InChIKey is BMBYCNQAOIQDOS-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NOS2/c1-11(12-5-2-8-17-12)16-15(13-6-3-9-18-13)14-7-4-10-19-14/h2-11,15-16H,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine?
(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine has a molecular weight of 289.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).