N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine

C12H24N2O3S2 — CID 103226861

IUPACN-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S2/c1-17-8-11(7-13-10-3-4-10)14-5-6-18-9-12(14)19(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRQNWBRHGNUWIJJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.17
Rot. Bonds7

About N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine

N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine (PubChem CID 103226861) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine
PubChem CID103226861
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC NameN-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S2/c1-17-8-11(7-13-10-3-4-10)14-5-6-18-9-12(14)19(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRQNWBRHGNUWIJJ-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine (CID 103226861) is N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine is COCC(CNC1CC1)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine?
The InChIKey is RQNWBRHGNUWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-17-8-11(7-13-10-3-4-10)14-5-6-18-9-12(14)19(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine?
N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine has a molecular weight of 308.47 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(3-methylsulfonylthiomorpholin-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 103226861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).