N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine

C8H20N2O2S — CID 87751725

IUPACN-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine
SMILESCNCCCS(=O)(=O)CCCNC
InChIInChI=1S/C8H20N2O2S/c1-9-5-3-7-13(11,12)8-4-6-10-2/h9-10H,3-8H2,1-2H3
InChIKeyFUFDUSKEEWTKKG-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.38
Rot. Bonds8

About N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine

N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine (PubChem CID 87751725) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine
PubChem CID87751725
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine
SMILESCNCCCS(=O)(=O)CCCNC
InChIInChI=1S/C8H20N2O2S/c1-9-5-3-7-13(11,12)8-4-6-10-2/h9-10H,3-8H2,1-2H3
InChIKeyFUFDUSKEEWTKKG-UHFFFAOYSA-N
XLogP-0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.38
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-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine (CID 87751725) is N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine is CNCCCS(=O)(=O)CCCNC.
What is the InChIKey of N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine?
The InChIKey is FUFDUSKEEWTKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-9-5-3-7-13(11,12)8-4-6-10-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine?
N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine has a molecular weight of 208.33 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine is sourced from PubChem (CID 87751725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).