N-(propylaminomethyl)methanesulfonamide

C5H14N2O2S — CID 22609847

IUPACN-(propylaminomethyl)methanesulfonamide
SMILESCCCNCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-4-6-5-7-10(2,8)9/h6-7H,3-5H2,1-2H3
InChIKeyDYZYVCIISMWUQX-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.51
Rot. Bonds5

About N-(propylaminomethyl)methanesulfonamide

N-(propylaminomethyl)methanesulfonamide (PubChem CID 22609847) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(propylaminomethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(propylaminomethyl)methanesulfonamide
PubChem CID22609847
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(propylaminomethyl)methanesulfonamide
SMILESCCCNCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-4-6-5-7-10(2,8)9/h6-7H,3-5H2,1-2H3
InChIKeyDYZYVCIISMWUQX-UHFFFAOYSA-N
XLogP-0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.51
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)methanesulfonamide?
The IUPAC name of N-(propylaminomethyl)methanesulfonamide (CID 22609847) is N-(propylaminomethyl)methanesulfonamide.
What is the SMILES notation for N-(propylaminomethyl)methanesulfonamide?
The canonical SMILES for N-(propylaminomethyl)methanesulfonamide is CCCNCNS(C)(=O)=O.
What is the InChIKey of N-(propylaminomethyl)methanesulfonamide?
The InChIKey is DYZYVCIISMWUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-3-4-6-5-7-10(2,8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(propylaminomethyl)methanesulfonamide?
N-(propylaminomethyl)methanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylaminomethyl)methanesulfonamide is sourced from PubChem (CID 22609847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).