2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

C14H23NO2S — CID 113251242

IUPAC2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCNC(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-12(2)18(16,17)11-10-15-14(3,4)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3
InChIKeyFWZPBPPGBNTUBN-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.33
Rot. Bonds6

About 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (PubChem CID 113251242) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
PubChem CID113251242
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCNC(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-12(2)18(16,17)11-10-15-14(3,4)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3
InChIKeyFWZPBPPGBNTUBN-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
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3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
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2-fluoro-3-(2-phenylpropan-2-ylamino)propane-1-sulfonic acid
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2-(chloromethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106730988
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723452
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
3-[2-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propane-1-sulfonic acid
CID 58691944
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CID 106723179

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The IUPAC name of 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (CID 113251242) is 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The canonical SMILES for 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is CC(C)S(=O)(=O)CCNC(C)(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The InChIKey is FWZPBPPGBNTUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12(2)18(16,17)11-10-15-14(3,4)13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3.
What are the key properties of 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 113251242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).