N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide

C15H33N3O3S — CID 70939316

IUPACN-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNCCCN1CCOCC1
InChIInChI=1S/C15H33N3O3S/c1-15(2)22(19,20)17-9-5-3-4-7-16-8-6-10-18-11-13-21-14-12-18/h15-17H,3-14H2,1-2H3
InChIKeyRRVWHTAJQDNINB-UHFFFAOYSA-N
MW335.51 g/mol
LogP0.80
Rot. Bonds12

About N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide

N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide (PubChem CID 70939316) has the molecular formula C15H33N3O3S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide
PubChem CID70939316
Molecular FormulaC15H33N3O3S
Molecular Weight335.51 g/mol
Exact Mass335.22
IUPAC NameN-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNCCCN1CCOCC1
InChIInChI=1S/C15H33N3O3S/c1-15(2)22(19,20)17-9-5-3-4-7-16-8-6-10-18-11-13-21-14-12-18/h15-17H,3-14H2,1-2H3
InChIKeyRRVWHTAJQDNINB-UHFFFAOYSA-N
XLogP0.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide (CID 70939316) is N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNCCCN1CCOCC1.
What is the InChIKey of N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide?
The InChIKey is RRVWHTAJQDNINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3S/c1-15(2)22(19,20)17-9-5-3-4-7-16-8-6-10-18-11-13-21-14-12-18/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide?
N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide has a molecular weight of 335.51 g/mol, XLogP of 0.80, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-morpholin-4-ylpropylamino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).