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

2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
CID 130538680
N-(2-fluoroethyl)thiophen-3-amine
CID 80697712
N-(2-tert-butylsulfonylethyl)-3,4-dichloroaniline
CID 106723040
N-(3-methoxy-3-methylbutyl)thiophen-3-amine
CID 103033422
N-(3-methoxypropyl)thiophen-3-amine
CID 66353037
4-bromo-N-(2-tert-butylsulfonylethyl)-3-methoxyaniline
CID 106724224
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
N-(2-tert-butylsulfonylethyl)-2-fluoro-4-methylaniline
CID 106723131
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
N-(2-tert-butylsulfonylethyl)-2-(difluoromethylsulfanyl)aniline
CID 106722976

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).