N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide

C11H28N4O2S — CID 150592846

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C11H28N4O2S/c1-18(16,17)15-11-5-10-14-8-3-2-7-13-9-4-6-12/h13-15H,2-12H2,1H3
InChIKeyIQFPMQYQUIVUMF-UHFFFAOYSA-N
MW280.44 g/mol
LogP-0.77
Rot. Bonds13

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide (PubChem CID 150592846) has the molecular formula C11H28N4O2S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide
PubChem CID150592846
Molecular FormulaC11H28N4O2S
Molecular Weight280.44 g/mol
Exact Mass280.19
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C11H28N4O2S/c1-18(16,17)15-11-5-10-14-8-3-2-7-13-9-4-6-12/h13-15H,2-12H2,1H3
InChIKeyIQFPMQYQUIVUMF-UHFFFAOYSA-N
XLogP-0.77
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-aminopropylamino)butylamino]propyl]butane-1-sulfonamide
CID 9966965
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
1-(3-Aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
CID 87739643
Spermine-sulfonamid
CID 129690885
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
Tripropylammonium mesylate
CID 171393722
N-ethyl-N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
CID 61013676
N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
CID 61014023
N-ethyl-N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide
CID 64554409
N-ethyl-N-[3-(2-fluoroethylamino)propyl]methanesulfonamide
CID 80695162
N-ethyl-N-[3-(3-fluoropropylamino)propyl]methanesulfonamide
CID 81105224

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide (CID 150592846) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide?
The InChIKey is IQFPMQYQUIVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4O2S/c1-18(16,17)15-11-5-10-14-8-3-2-7-13-9-4-6-12/h13-15H,2-12H2,1H3.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide has a molecular weight of 280.44 g/mol, XLogP of -0.77, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide is sourced from PubChem (CID 150592846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).