2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine

C8H13NOS2 — CID 97064689

IUPAC2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[S@@](=O)CCNCc1cccs1
InChIInChI=1S/C8H13NOS2/c1-12(10)6-4-9-7-8-3-2-5-11-8/h2-3,5,9H,4,6-7H2,1H3/t12-/m1/s1
InChIKeyMRLBDWMWTVXRGH-GFCCVEGCSA-N
MW203.33 g/mol
LogP1.22
Rot. Bonds5

About 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine

2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 97064689) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID97064689
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[S@@](=O)CCNCc1cccs1
InChIInChI=1S/C8H13NOS2/c1-12(10)6-4-9-7-8-3-2-5-11-8/h2-3,5,9H,4,6-7H2,1H3/t12-/m1/s1
InChIKeyMRLBDWMWTVXRGH-GFCCVEGCSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 97064689) is 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine is C[S@@](=O)CCNCc1cccs1.
What is the InChIKey of 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is MRLBDWMWTVXRGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-12(10)6-4-9-7-8-3-2-5-11-8/h2-3,5,9H,4,6-7H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine?
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 203.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 97064689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).