2-ethyl-4-propylsulfonylbutan-1-amine

C9H21NO2S — CID 106729541

IUPAC2-ethyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(CC)CN
InChIInChI=1S/C9H21NO2S/c1-3-6-13(11,12)7-5-9(4-2)8-10/h9H,3-8,10H2,1-2H3
InChIKeyAIZXLWWOYYOSFT-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds7

About 2-ethyl-4-propylsulfonylbutan-1-amine

2-ethyl-4-propylsulfonylbutan-1-amine (PubChem CID 106729541) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-ethyl-4-propylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-propylsulfonylbutan-1-amine
PubChem CID106729541
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(CC)CN
InChIInChI=1S/C9H21NO2S/c1-3-6-13(11,12)7-5-9(4-2)8-10/h9H,3-8,10H2,1-2H3
InChIKeyAIZXLWWOYYOSFT-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
1-propylsulfonylpropane
CID 11709
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-amine
CID 106729586
2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
CID 106729989
2-propylsulfonylethanamine;hydrochloride
CID 87608994
(2S)-2-ethylhexan-1-amine
CID 6999997
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-ethylpropane-1,3-diamine
CID 14499053
N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
CID 106729640

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-4-propylsulfonylbutan-1-amine (CID 106729541) is 2-ethyl-4-propylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-propylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-propylsulfonylbutan-1-amine is CCCS(=O)(=O)CCC(CC)CN.
What is the InChIKey of 2-ethyl-4-propylsulfonylbutan-1-amine?
The InChIKey is AIZXLWWOYYOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-3-6-13(11,12)7-5-9(4-2)8-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-ethyl-4-propylsulfonylbutan-1-amine?
2-ethyl-4-propylsulfonylbutan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propylsulfonylbutan-1-amine is sourced from PubChem (CID 106729541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).