N-(ethylaminomethyl)-N-propylmethanesulfonamide

C7H18N2O2S — CID 59651230

IUPACN-(ethylaminomethyl)-N-propylmethanesulfonamide
SMILESCCCN(CNCC)S(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7-8-5-2)12(3,10)11/h8H,4-7H2,1-3H3
InChIKeyKNEBEEYTTSEANB-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.22
Rot. Bonds6

About N-(ethylaminomethyl)-N-propylmethanesulfonamide

N-(ethylaminomethyl)-N-propylmethanesulfonamide (PubChem CID 59651230) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(ethylaminomethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(ethylaminomethyl)-N-propylmethanesulfonamide
PubChem CID59651230
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(ethylaminomethyl)-N-propylmethanesulfonamide
SMILESCCCN(CNCC)S(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-9(7-8-5-2)12(3,10)11/h8H,4-7H2,1-3H3
InChIKeyKNEBEEYTTSEANB-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.22
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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Related Compounds

CID 19014039
CID 19014039
CID 22609740
CID 22609740
CID 22609847
CID 22609847
CID 43430993
CID 43430993
CID 59083258
CID 59083258
CID 68902198
CID 68902198
CID 90322084
CID 90322084
CID 90874015
CID 90874015
CID 90880765
CID 90880765
CID 91437727
CID 91437727
CID 103942579
CID 103942579
CID 106332817
CID 106332817

Frequently Asked Questions

What is the IUPAC name of N-(ethylaminomethyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(ethylaminomethyl)-N-propylmethanesulfonamide (CID 59651230) is N-(ethylaminomethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(ethylaminomethyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(ethylaminomethyl)-N-propylmethanesulfonamide is CCCN(CNCC)S(C)(=O)=O.
What is the InChIKey of N-(ethylaminomethyl)-N-propylmethanesulfonamide?
The InChIKey is KNEBEEYTTSEANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-6-9(7-8-5-2)12(3,10)11/h8H,4-7H2,1-3H3.
What are the key properties of N-(ethylaminomethyl)-N-propylmethanesulfonamide?
N-(ethylaminomethyl)-N-propylmethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 59651230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).