N-(propylaminomethyl)propane-1-sulfonamide

C7H18N2O2S — CID 59083258

IUPACN-(propylaminomethyl)propane-1-sulfonamide
SMILESCCCNCNS(=O)(=O)CCC
InChIInChI=1S/C7H18N2O2S/c1-3-5-8-7-9-12(10,11)6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyOQUONDIDLUIZLA-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.27
Rot. Bonds7

About N-(propylaminomethyl)propane-1-sulfonamide

N-(propylaminomethyl)propane-1-sulfonamide (PubChem CID 59083258) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(propylaminomethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(propylaminomethyl)propane-1-sulfonamide
PubChem CID59083258
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(propylaminomethyl)propane-1-sulfonamide
SMILESCCCNCNS(=O)(=O)CCC
InChIInChI=1S/C7H18N2O2S/c1-3-5-8-7-9-12(10,11)6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyOQUONDIDLUIZLA-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propylaminomethyl)propane-1-sulfonamide?
The IUPAC name of N-(propylaminomethyl)propane-1-sulfonamide (CID 59083258) is N-(propylaminomethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(propylaminomethyl)propane-1-sulfonamide?
The canonical SMILES for N-(propylaminomethyl)propane-1-sulfonamide is CCCNCNS(=O)(=O)CCC.
What is the InChIKey of N-(propylaminomethyl)propane-1-sulfonamide?
The InChIKey is OQUONDIDLUIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-3-5-8-7-9-12(10,11)6-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(propylaminomethyl)propane-1-sulfonamide?
N-(propylaminomethyl)propane-1-sulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylaminomethyl)propane-1-sulfonamide is sourced from PubChem (CID 59083258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).