N-[3-(methylamino)propyl]butane-1-sulfonamide

C8H20N2O2S — CID 43602843

IUPACN-[3-(methylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCNC
InChIInChI=1S/C8H20N2O2S/c1-3-4-8-13(11,12)10-7-5-6-9-2/h9-10H,3-8H2,1-2H3
InChIKeyBWZUGLKHTADRIU-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.32
Rot. Bonds8

About N-[3-(methylamino)propyl]butane-1-sulfonamide

N-[3-(methylamino)propyl]butane-1-sulfonamide (PubChem CID 43602843) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]butane-1-sulfonamide
PubChem CID43602843
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[3-(methylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCNC
InChIInChI=1S/C8H20N2O2S/c1-3-4-8-13(11,12)10-7-5-6-9-2/h9-10H,3-8H2,1-2H3
InChIKeyBWZUGLKHTADRIU-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methylamino)propyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(methylamino)propyl]butane-1-sulfonamide (CID 43602843) is N-[3-(methylamino)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(methylamino)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(methylamino)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCNC.
What is the InChIKey of N-[3-(methylamino)propyl]butane-1-sulfonamide?
The InChIKey is BWZUGLKHTADRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-4-8-13(11,12)10-7-5-6-9-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[3-(methylamino)propyl]butane-1-sulfonamide?
N-[3-(methylamino)propyl]butane-1-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]butane-1-sulfonamide is sourced from PubChem (CID 43602843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).