3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine

C16H27NO2S — CID 64638782

IUPAC3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-11-17-13(4)14(5)20(18,19)16-9-7-15(8-10-16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyVNSCHQRMJGRQFZ-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.36
Rot. Bonds7

About 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine

3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine (PubChem CID 64638782) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
PubChem CID64638782
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-11-17-13(4)14(5)20(18,19)16-9-7-15(8-10-16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyVNSCHQRMJGRQFZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
CID 64639394
3-(3-bromophenyl)sulfonyl-N-propylbutan-2-amine
CID 64673849
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propylbutan-2-amine
CID 64647458
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406
N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine
CID 64639395
3-(4-propan-2-ylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64659532
N-propyl-3-[4-(trifluoromethylsulfonyl)phenyl]butan-2-amine
CID 63200096
N-[2-[4-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]ethyl]propan-1-amine;hydrochloride
CID 69241138
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
CID 9161691

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine?
The IUPAC name of 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine (CID 64638782) is 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine is CCCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine?
The InChIKey is VNSCHQRMJGRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-11-17-13(4)14(5)20(18,19)16-9-7-15(8-10-16)12(2)3/h7-10,12-14,17H,6,11H2,1-5H3.
What are the key properties of 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine?
3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 64638782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).