N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine

C12H25NO2S — CID 71911969

IUPACN-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine
SMILESCCCS(=O)(=O)CCN(C(C)C)C1CCC1
InChIInChI=1S/C12H25NO2S/c1-4-9-16(14,15)10-8-13(11(2)3)12-6-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyMMSWSCWILJFEOA-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.07
Rot. Bonds7

About N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine

N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine (PubChem CID 71911969) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine
PubChem CID71911969
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine
SMILESCCCS(=O)(=O)CCN(C(C)C)C1CCC1
InChIInChI=1S/C12H25NO2S/c1-4-9-16(14,15)10-8-13(11(2)3)12-6-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyMMSWSCWILJFEOA-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine?
The IUPAC name of N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine (CID 71911969) is N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine.
What is the SMILES notation for N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine?
The canonical SMILES for N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine is CCCS(=O)(=O)CCN(C(C)C)C1CCC1.
What is the InChIKey of N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine?
The InChIKey is MMSWSCWILJFEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-9-16(14,15)10-8-13(11(2)3)12-6-5-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine?
N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine has a molecular weight of 247.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine is sourced from PubChem (CID 71911969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).