N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide

C12H25N3O3S — CID 43598708

IUPACN-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCNC2CC2)CC(C)O1
InChIInChI=1S/C12H25N3O3S/c1-10-8-15(9-11(2)18-10)19(16,17)14-7-3-6-13-12-4-5-12/h10-14H,3-9H2,1-2H3
InChIKeyHNUFVNMUHZLELI-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.07
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43598708) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43598708
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCNC2CC2)CC(C)O1
InChIInChI=1S/C12H25N3O3S/c1-10-8-15(9-11(2)18-10)19(16,17)14-7-3-6-13-12-4-5-12/h10-14H,3-9H2,1-2H3
InChIKeyHNUFVNMUHZLELI-UHFFFAOYSA-N
XLogP0.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 43598708) is N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCCCNC2CC2)CC(C)O1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is HNUFVNMUHZLELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10-8-15(9-11(2)18-10)19(16,17)14-7-3-6-13-12-4-5-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).