N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine

C16H27NO2S — CID 64644839

IUPACN-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-15(2,3)13-7-9-14(10-8-13)20(18,19)12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChIKeyIXKRSKLFTPCVCN-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine

N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine (PubChem CID 64644839) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
PubChem CID64644839
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-15(2,3)13-7-9-14(10-8-13)20(18,19)12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChIKeyIXKRSKLFTPCVCN-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675828
(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568
1-(bromomethylsulfonyl)-4-tert-butylbenzene
CID 66789590
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
CID 167764822
5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
CID 64646630
2-[2-(4-tert-butylphenyl)sulfonylethyl]guanidine
CID 111108985
N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675930
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine (CID 64644839) is N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine?
The InChIKey is IXKRSKLFTPCVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-15(2,3)13-7-9-14(10-8-13)20(18,19)12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine?
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64644839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).