N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine

C16H27NO2S — CID 106730122

IUPACN-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(CCS(=O)(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-17-12-16(10-11-20(18,19)13(2)3)15-8-6-14(4)7-9-15/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyDYSXPBZKZWUDAO-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.90
Rot. Bonds8

About N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine

N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106730122) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106730122
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(CCS(=O)(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-17-12-16(10-11-20(18,19)13(2)3)15-8-6-14(4)7-9-15/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyDYSXPBZKZWUDAO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730175
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
4-tert-butylsulfonyl-2-(4-chlorophenyl)-N-ethylbutan-1-amine
CID 106730140
4-tert-butylsulfonyl-N-ethyl-2-(4-fluorophenyl)butan-1-amine
CID 106730134
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine (CID 106730122) is N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine is CCNCC(CCS(=O)(=O)C(C)C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is DYSXPBZKZWUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-17-12-16(10-11-20(18,19)13(2)3)15-8-6-14(4)7-9-15/h6-9,13,16-17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine?
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).