2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine

C17H29NO2S — CID 65097173

IUPAC2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C17H29NO2S/c1-4-21(19,20)12-8-11-17(14-18-15(2)3)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyLLYLJQWZBQNFSB-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.06
Rot. Bonds10

About 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine

2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine (PubChem CID 65097173) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
PubChem CID65097173
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C17H29NO2S/c1-4-21(19,20)12-8-11-17(14-18-15(2)3)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyLLYLJQWZBQNFSB-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine (CID 65097173) is 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine is CCS(=O)(=O)CCCC(CNC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine?
The InChIKey is LLYLJQWZBQNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-4-21(19,20)12-8-11-17(14-18-15(2)3)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3.
What are the key properties of 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine?
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65097173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).