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

C7H19N3O2S — CID 103942579

IUPACN-[3-(3-aminopropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCN
InChIInChI=1S/C7H19N3O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-8H2,1H3
InChIKeyFZDJPOQCNQQSMU-UHFFFAOYSA-N
MW209.31 g/mol
LogP-1.14
Rot. Bonds8

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

N-[3-(3-aminopropylamino)propyl]methanesulfonamide (PubChem CID 103942579) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[3-(3-aminopropylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylamino)propyl]methanesulfonamide
PubChem CID103942579
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC NameN-[3-(3-aminopropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCN
InChIInChI=1S/C7H19N3O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-8H2,1H3
InChIKeyFZDJPOQCNQQSMU-UHFFFAOYSA-N
XLogP-1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
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-(3-aminopropylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-aminopropylamino)propyl]methanesulfonamide (CID 103942579) is N-[3-(3-aminopropylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-aminopropylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-aminopropylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCCN.
What is the InChIKey of N-[3-(3-aminopropylamino)propyl]methanesulfonamide?
The InChIKey is FZDJPOQCNQQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-8H2,1H3.
What are the key properties of N-[3-(3-aminopropylamino)propyl]methanesulfonamide?
N-[3-(3-aminopropylamino)propyl]methanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of -1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylamino)propyl]methanesulfonamide is sourced from PubChem (CID 103942579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).