5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine

C11H25NO4S2 — CID 115646739

IUPAC5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CS(C)(=O)=O
InChIInChI=1S/C11H25NO4S2/c1-4-8-12-11(10-17(3,13)14)7-6-9-18(15,16)5-2/h11-12H,4-10H2,1-3H3
InChIKeyADZBGNMCCVMHAR-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.61
Rot. Bonds10

About 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine

5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 115646739) has the molecular formula C11H25NO4S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
PubChem CID115646739
Molecular FormulaC11H25NO4S2
Molecular Weight299.46 g/mol
Exact Mass299.12
IUPAC Name5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)CC)CS(C)(=O)=O
InChIInChI=1S/C11H25NO4S2/c1-4-8-12-11(10-17(3,13)14)7-6-9-18(15,16)5-2/h11-12H,4-10H2,1-3H3
InChIKeyADZBGNMCCVMHAR-UHFFFAOYSA-N
XLogP0.61
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
CID 115646738
6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 114211104
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
CID 113391491
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
4-methyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 115601883
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
1-methylsulfonyl-N-propylpent-4-yn-2-amine
CID 115601083
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine (CID 115646739) is 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(=O)(=O)CC)CS(C)(=O)=O.
What is the InChIKey of 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is ADZBGNMCCVMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S2/c1-4-8-12-11(10-17(3,13)14)7-6-9-18(15,16)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine?
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 299.46 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 115646739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).