N-ethyl-3-methylsulfonylbutan-1-amine

C7H17NO2S — CID 143593349

IUPACN-ethyl-3-methylsulfonylbutan-1-amine
SMILESCCNCCC(C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-8-6-5-7(2)11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyGELUPWXEGFHIKV-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds5

About N-ethyl-3-methylsulfonylbutan-1-amine

N-ethyl-3-methylsulfonylbutan-1-amine (PubChem CID 143593349) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonylbutan-1-amine
PubChem CID143593349
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-ethyl-3-methylsulfonylbutan-1-amine
SMILESCCNCCC(C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-8-6-5-7(2)11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyGELUPWXEGFHIKV-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.42
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

3-chloro-N-ethylbutan-1-amine
CID 65024849
2-(ethylamino)ethyl methanesulfonate
CID 89142204
2-methylsulfonyloctane
CID 121274607
1-N,3-diethylpentane-1,4-diamine
CID 155203399
N-ethyl-3-methyl-2-methylsulfonylbutan-1-amine
CID 66243826
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
N-ethyl-N-methyl-3-methylsulfonylbutan-1-amine
CID 142482776
4-(ethylamino)-2-methylbutan-1-ol
CID 55288287
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
4-amino-6-(ethylamino)hexan-3-one
CID 163948999

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfonylbutan-1-amine (CID 143593349) is N-ethyl-3-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfonylbutan-1-amine is CCNCCC(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methylsulfonylbutan-1-amine?
The InChIKey is GELUPWXEGFHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-8-6-5-7(2)11(3,9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3-methylsulfonylbutan-1-amine?
N-ethyl-3-methylsulfonylbutan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonylbutan-1-amine is sourced from PubChem (CID 143593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).