3-(2-ethylbutylsulfonyl)butan-1-amine

C10H23NO2S — CID 82935836

IUPAC3-(2-ethylbutylsulfonyl)butan-1-amine
SMILESCCC(CC)CS(=O)(=O)C(C)CCN
InChIInChI=1S/C10H23NO2S/c1-4-10(5-2)8-14(12,13)9(3)6-7-11/h9-10H,4-8,11H2,1-3H3
InChIKeyUXSPDCWLDVRMFR-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.57
Rot. Bonds7

About 3-(2-ethylbutylsulfonyl)butan-1-amine

3-(2-ethylbutylsulfonyl)butan-1-amine (PubChem CID 82935836) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(2-ethylbutylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-ethylbutylsulfonyl)butan-1-amine
PubChem CID82935836
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-(2-ethylbutylsulfonyl)butan-1-amine
SMILESCCC(CC)CS(=O)(=O)C(C)CCN
InChIInChI=1S/C10H23NO2S/c1-4-10(5-2)8-14(12,13)9(3)6-7-11/h9-10H,4-8,11H2,1-3H3
InChIKeyUXSPDCWLDVRMFR-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutylsulfonyl)butan-1-amine?
The IUPAC name of 3-(2-ethylbutylsulfonyl)butan-1-amine (CID 82935836) is 3-(2-ethylbutylsulfonyl)butan-1-amine.
What is the SMILES notation for 3-(2-ethylbutylsulfonyl)butan-1-amine?
The canonical SMILES for 3-(2-ethylbutylsulfonyl)butan-1-amine is CCC(CC)CS(=O)(=O)C(C)CCN.
What is the InChIKey of 3-(2-ethylbutylsulfonyl)butan-1-amine?
The InChIKey is UXSPDCWLDVRMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-10(5-2)8-14(12,13)9(3)6-7-11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-(2-ethylbutylsulfonyl)butan-1-amine?
3-(2-ethylbutylsulfonyl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutylsulfonyl)butan-1-amine is sourced from PubChem (CID 82935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).