5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine

C16H27NO2S — CID 64646630

IUPAC5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-13(17-5)7-6-12-20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyAPHSDLLEVYHTKO-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.15
Rot. Bonds6

About 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine

5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine (PubChem CID 64646630) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
PubChem CID64646630
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-13(17-5)7-6-12-20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyAPHSDLLEVYHTKO-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759721
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine (CID 64646630) is 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine is CNC(C)CCCS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine?
The InChIKey is APHSDLLEVYHTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-13(17-5)7-6-12-20(18,19)15-10-8-14(9-11-15)16(2,3)4/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine?
5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine is sourced from PubChem (CID 64646630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).