N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

C12H27NO2S — CID 106729966

IUPACN,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(C)(CC)CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(5,10-13-7-2)8-9-16(14,15)11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyUHSZOYOOYNJQPG-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds8

About N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106729966) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106729966
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(C)(CC)CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(5,10-13-7-2)8-9-16(14,15)11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyUHSZOYOOYNJQPG-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
N-ethyl-2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-en-1-amine
CID 106730434
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
N,2-diethyl-2,4-dimethylhexan-1-amine
CID 62726078
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
tert-butyl N-[2-(hydroxymethyl)-2-methyl-4-propan-2-ylsulfonylbutyl]carbamate
CID 106730843
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106729966) is N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is CCNCC(C)(CC)CCS(=O)(=O)C(C)C.
What is the InChIKey of N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is UHSZOYOOYNJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-12(5,10-13-7-2)8-9-16(14,15)11(3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106729966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).