N-(aminomethyl)-N-propylmethanesulfonamide

C5H14N2O2S — CID 90880765

IUPACN-(aminomethyl)-N-propylmethanesulfonamide
SMILESCCCN(CN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyZWKFWPJKSLTNIJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.43
Rot. Bonds4

About N-(aminomethyl)-N-propylmethanesulfonamide

N-(aminomethyl)-N-propylmethanesulfonamide (PubChem CID 90880765) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(aminomethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-propylmethanesulfonamide
PubChem CID90880765
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(aminomethyl)-N-propylmethanesulfonamide
SMILESCCCN(CN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyZWKFWPJKSLTNIJ-UHFFFAOYSA-N
XLogP-0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(aminomethyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(aminomethyl)-N-propylmethanesulfonamide (CID 90880765) is N-(aminomethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(aminomethyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(aminomethyl)-N-propylmethanesulfonamide is CCCN(CN)S(C)(=O)=O.
What is the InChIKey of N-(aminomethyl)-N-propylmethanesulfonamide?
The InChIKey is ZWKFWPJKSLTNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-6H2,1-2H3.
What are the key properties of N-(aminomethyl)-N-propylmethanesulfonamide?
N-(aminomethyl)-N-propylmethanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 90880765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).