3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine

C10H17NO2S2 — CID 64646199

IUPAC3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)8(11)7-15(12,13)9-5-4-6-14-9/h4-6,8H,7,11H2,1-3H3
InChIKeyUENMQZBXCJXAOY-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.90
Rot. Bonds3

About 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine

3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine (PubChem CID 64646199) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
PubChem CID64646199
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)8(11)7-15(12,13)9-5-4-6-14-9/h4-6,8H,7,11H2,1-3H3
InChIKeyUENMQZBXCJXAOY-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64647191
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
CID 82359917
2-[2-(bromomethyl)pentylsulfonyl]thiophene
CID 65014082
3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 106584879
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
CID 64640442
tert-butyl 3-thiophen-2-ylsulfonylpropanoate
CID 116662446
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine (CID 64646199) is 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine is CC(C)(C)C(N)CS(=O)(=O)c1cccs1.
What is the InChIKey of 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine?
The InChIKey is UENMQZBXCJXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-10(2,3)8(11)7-15(12,13)9-5-4-6-14-9/h4-6,8H,7,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine?
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine is sourced from PubChem (CID 64646199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).