N-(2-tert-butylsulfonylethyl)thiophen-3-amine

C10H17NO2S2 — CID 106723948

IUPACN-(2-tert-butylsulfonylethyl)thiophen-3-amine
SMILESCC(C)(C)S(=O)(=O)CCNc1ccsc1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)15(12,13)7-5-11-9-4-6-14-8-9/h4,6,8,11H,5,7H2,1-3H3
InChIKeyGIKMNTFSODKAOZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.37
Rot. Bonds4

About N-(2-tert-butylsulfonylethyl)thiophen-3-amine

N-(2-tert-butylsulfonylethyl)thiophen-3-amine (PubChem CID 106723948) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)thiophen-3-amine
PubChem CID106723948
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-(2-tert-butylsulfonylethyl)thiophen-3-amine
SMILESCC(C)(C)S(=O)(=O)CCNc1ccsc1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)15(12,13)7-5-11-9-4-6-14-8-9/h4,6,8,11H,5,7H2,1-3H3
InChIKeyGIKMNTFSODKAOZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylpropylamino)ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
CID 10090395
N-ethylthiophen-3-amine hydrochloride
CID 165993990
2-(diethylsulfamoyl)-N-thiophen-3-ylacetamide
CID 71984168
3-methylsulfonyl-N-thiophen-3-ylpropanamide
CID 72001121
2-propylsulfonyl-N-thiophen-3-ylacetamide
CID 72009093
N-butylthiophen-3-amine
CID 12181852
N-prop-2-enylthiophen-3-amine
CID 55300554
N-heptylthiophen-3-amine
CID 12181853
Methyl(thiophen-3-yl)azanium
CID 21602786
N-hexylthiophen-3-amine
CID 11126930
N-ethylthiophen-3-amine
CID 13586586
1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
CID 21735319

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)thiophen-3-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)thiophen-3-amine (CID 106723948) is N-(2-tert-butylsulfonylethyl)thiophen-3-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)thiophen-3-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)thiophen-3-amine is CC(C)(C)S(=O)(=O)CCNc1ccsc1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)thiophen-3-amine?
The InChIKey is GIKMNTFSODKAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-10(2,3)15(12,13)7-5-11-9-4-6-14-8-9/h4,6,8,11H,5,7H2,1-3H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)thiophen-3-amine?
N-(2-tert-butylsulfonylethyl)thiophen-3-amine has a molecular weight of 247.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)thiophen-3-amine is sourced from PubChem (CID 106723948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).