2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine

C11H25NO2S — CID 62529760

IUPAC2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)CCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-8-12-10-11(5-2)7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3
InChIKeyFSUDOXKEMPZMFW-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds9

About 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine

2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine (PubChem CID 62529760) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
PubChem CID62529760
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)CCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-8-12-10-11(5-2)7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3
InChIKeyFSUDOXKEMPZMFW-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-4-propylsulfonylbutan-1-amine
CID 106729989
4-ethylsulfonyl-2-[(4-methylphenyl)methyl]-N-propylbutan-1-amine
CID 62515732
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
CID 65097226
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
N,2-dipropylpentan-1-amine
CID 62530512
2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 62516582
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
2-ethyl-N-pentylhexan-1-amine
CID 43081963
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine (CID 62529760) is 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine is CCCNCC(CC)CCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The InChIKey is FSUDOXKEMPZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-8-12-10-11(5-2)7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine?
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 62529760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).