1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine

C11H19NO2S2 — CID 115842626

IUPAC1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
SMILESCCc1ccc(CC(N)C(C)S(C)(=O)=O)s1
InChIInChI=1S/C11H19NO2S2/c1-4-9-5-6-10(15-9)7-11(12)8(2)16(3,13)14/h5-6,8,11H,4,7,12H2,1-3H3
InChIKeyRGBYDWRXBGWTIQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.61
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine

1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine (PubChem CID 115842626) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
PubChem CID115842626
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
SMILESCCc1ccc(CC(N)C(C)S(C)(=O)=O)s1
InChIInChI=1S/C11H19NO2S2/c1-4-9-5-6-10(15-9)7-11(12)8(2)16(3,13)14/h5-6,8,11H,4,7,12H2,1-3H3
InChIKeyRGBYDWRXBGWTIQ-UHFFFAOYSA-N
XLogP1.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115842561
2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
2,5-diethylthiophene
CID 521294
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
CID 116556032
1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine
CID 115842897
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105295975
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine (CID 115842626) is 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine is CCc1ccc(CC(N)C(C)S(C)(=O)=O)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine?
The InChIKey is RGBYDWRXBGWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-4-9-5-6-10(15-9)7-11(12)8(2)16(3,13)14/h5-6,8,11H,4,7,12H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine?
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 115842626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).