N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine

C17H27NO2S — CID 63192049

IUPACN-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H27NO2S/c1-3-18-16(11-7-14-21(2,19)20)17(12-8-13-17)15-9-5-4-6-10-15/h4-6,9-10,16,18H,3,7-8,11-14H2,1-2H3
InChIKeyIJRDQNHUDKLVOI-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.91
Rot. Bonds8

About N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine

N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine (PubChem CID 63192049) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
PubChem CID63192049
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H27NO2S/c1-3-18-16(11-7-14-21(2,19)20)17(12-8-13-17)15-9-5-4-6-10-15/h4-6,9-10,16,18H,3,7-8,11-14H2,1-2H3
InChIKeyIJRDQNHUDKLVOI-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine (CID 63192049) is N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine is CCNC(CCCS(C)(=O)=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine?
The InChIKey is IJRDQNHUDKLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-18-16(11-7-14-21(2,19)20)17(12-8-13-17)15-9-5-4-6-10-15/h4-6,9-10,16,18H,3,7-8,11-14H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine?
N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine is sourced from PubChem (CID 63192049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).