N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide

C13H26N2O2S — CID 164640887

IUPACN-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide
SMILESCCC1(CN[C@@H](C)CNS(=O)(=O)C2CC2)CCC1
InChIInChI=1S/C13H26N2O2S/c1-3-13(7-4-8-13)10-14-11(2)9-15-18(16,17)12-5-6-12/h11-12,14-15H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyMBIGKAXZLIONJU-NSHDSACASA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds8

About N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide

N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide (PubChem CID 164640887) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide
PubChem CID164640887
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide
SMILESCCC1(CN[C@@H](C)CNS(=O)(=O)C2CC2)CCC1
InChIInChI=1S/C13H26N2O2S/c1-3-13(7-4-8-13)10-14-11(2)9-15-18(16,17)12-5-6-12/h11-12,14-15H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyMBIGKAXZLIONJU-NSHDSACASA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide (CID 164640887) is N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide is CCC1(CN[C@@H](C)CNS(=O)(=O)C2CC2)CCC1.
What is the InChIKey of N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide?
The InChIKey is MBIGKAXZLIONJU-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-13(7-4-8-13)10-14-11(2)9-15-18(16,17)12-5-6-12/h11-12,14-15H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide?
N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 164640887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).