N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine

C7H13NS — CID 163697967

IUPACN-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine
SMILESCCNC[C@H]1CC=CS1
InChIInChI=1S/C7H13NS/c1-2-8-6-7-4-3-5-9-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyJYNJCQYCQDSUQE-SSDOTTSWSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds3

About N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine

N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine (PubChem CID 163697967) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine
PubChem CID163697967
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine
SMILESCCNC[C@H]1CC=CS1
InChIInChI=1S/C7H13NS/c1-2-8-6-7-4-3-5-9-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyJYNJCQYCQDSUQE-SSDOTTSWSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine (CID 163697967) is N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine is CCNC[C@H]1CC=CS1.
What is the InChIKey of N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine?
The InChIKey is JYNJCQYCQDSUQE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-8-6-7-4-3-5-9-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine?
N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydrothiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 163697967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).