N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine

C16H27NO2S — CID 64640593

IUPACN-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
SMILESCCNC(C)CCCS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-17-14(4)7-6-12-20(18,19)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyLZDQGVYUMVEBNV-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine

N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine (PubChem CID 64640593) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
PubChem CID64640593
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
SMILESCCNC(C)CCCS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-17-14(4)7-6-12-20(18,19)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyLZDQGVYUMVEBNV-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64676520
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpentan-2-amine
CID 64645667
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
4-(4-propan-2-ylphenyl)sulfonylbutanenitrile
CID 64692191
5-(4-propan-2-ylphenyl)sulfonylpentanoic acid
CID 28971936
1-(3,3-diethoxypropylsulfonyl)-4-propan-2-ylbenzene
CID 64642505
4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
CID 64676319
N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
CID 64639394
5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
CID 64646630
5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
CID 63561716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine?
The IUPAC name of N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine (CID 64640593) is N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine is CCNC(C)CCCS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine?
The InChIKey is LZDQGVYUMVEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-17-14(4)7-6-12-20(18,19)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine?
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64640593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).