1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine

C14H23NO2S — CID 64640442

IUPAC1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
SMILESCc1ccc(C)c(S(=O)(=O)CC(N)C(C)(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-10-6-7-11(2)12(8-10)18(16,17)9-13(15)14(3,4)5/h6-8,13H,9,15H2,1-5H3
InChIKeyULIQAPBSPOWBMI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.45
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine

1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine (PubChem CID 64640442) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
PubChem CID64640442
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
SMILESCc1ccc(C)c(S(=O)(=O)CC(N)C(C)(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-10-6-7-11(2)12(8-10)18(16,17)9-13(15)14(3,4)5/h6-8,13H,9,15H2,1-5H3
InChIKeyULIQAPBSPOWBMI-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,5-dimethylphenyl)sulfonylpropanoic acid
CID 65442837
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64641013
1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
CID 64640615
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-one
CID 64643299
1-(2-bromophenyl)sulfonyl-3,3-dimethylbutan-2-amine
CID 64646640
3-(2,5-dimethylphenyl)sulfonyl-2,2-dimethylpropan-1-ol
CID 116853098
4-(2,5-dimethylphenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64898403
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
CID 4163708
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889
4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
CID 91652487

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine (CID 64640442) is 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine is Cc1ccc(C)c(S(=O)(=O)CC(N)C(C)(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine?
The InChIKey is ULIQAPBSPOWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-6-7-11(2)12(8-10)18(16,17)9-13(15)14(3,4)5/h6-8,13H,9,15H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine?
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64640442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).