2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide

C12H20N2OS2 — CID 114233336

IUPAC2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC(c1sccc1C)C(C)N
InChIInChI=1S/C12H20N2OS2/c1-4-14-10(15)7-17-12(9(3)13)11-8(2)5-6-16-11/h5-6,9,12H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyOETIHSJFFSHZAS-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide

2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide (PubChem CID 114233336) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
PubChem CID114233336
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC(c1sccc1C)C(C)N
InChIInChI=1S/C12H20N2OS2/c1-4-14-10(15)7-17-12(9(3)13)11-8(2)5-6-16-11/h5-6,9,12H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyOETIHSJFFSHZAS-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770385
3-[2-amino-1-(3-methylthiophen-2-yl)butyl]sulfanylbutan-2-ol
CID 107770577
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide
CID 114233479
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
CID 63993085
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide (CID 114233336) is 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide is CCNC(=O)CSC(c1sccc1C)C(C)N.
What is the InChIKey of 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide?
The InChIKey is OETIHSJFFSHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-4-14-10(15)7-17-12(9(3)13)11-8(2)5-6-16-11/h5-6,9,12H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide?
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide has a molecular weight of 272.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114233336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).