2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine

C13H29NO2S — CID 62724247

IUPAC2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CCS(=O)(=O)CC)CNC(C)C
InChIInChI=1S/C13H29NO2S/c1-6-13(7-2,11-14-12(4)5)9-10-17(15,16)8-3/h12,14H,6-11H2,1-5H3
InChIKeyFDOUYDLKAHMHGJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.62
Rot. Bonds9

About 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine

2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine (PubChem CID 62724247) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
PubChem CID62724247
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CCS(=O)(=O)CC)CNC(C)C
InChIInChI=1S/C13H29NO2S/c1-6-13(7-2,11-14-12(4)5)9-10-17(15,16)8-3/h12,14H,6-11H2,1-5H3
InChIKeyFDOUYDLKAHMHGJ-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943
2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
CID 63509497
N,2,2-triethyl-4-methylsulfonylbutan-1-amine
CID 62723454
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63495140
2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260356
3,3-bis(bromomethyl)-1-propylsulfonylpentane
CID 106734917
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine (CID 62724247) is 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine is CCC(CC)(CCS(=O)(=O)CC)CNC(C)C.
What is the InChIKey of 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine?
The InChIKey is FDOUYDLKAHMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-13(7-2,11-14-12(4)5)9-10-17(15,16)8-3/h12,14H,6-11H2,1-5H3.
What are the key properties of 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine?
2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62724247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).