3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine

C11H25NO2S — CID 105013715

IUPAC3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CS(C)(=O)=O)C(CC)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-12-11(9-15(4,13)14)10(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyRCEIBMQPZNPHQT-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine

3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 105013715) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
PubChem CID105013715
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CS(C)(=O)=O)C(CC)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-12-11(9-15(4,13)14)10(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyRCEIBMQPZNPHQT-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-propylpent-4-yn-2-amine
CID 115601083
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
4-methyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 115601883
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 114211104
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
3-(2-methylsulfonylethylsulfonyl)-N-propylheptan-4-amine
CID 64645015
5-methyl-2-methylsulfonyl-N-propylheptan-3-amine
CID 115846138
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
3-ethyl-N-propyloct-6-yn-4-amine
CID 115819984
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
5-ethyl-N-propyltetradecan-6-amine
CID 115835262

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine (CID 105013715) is 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CS(C)(=O)=O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is RCEIBMQPZNPHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-8-12-11(9-15(4,13)14)10(6-2)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine?
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 105013715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).