N-[1-(ethylamino)ethyl]methanesulfonamide

C5H14N2O2S — CID 19014039

IUPACN-[1-(ethylamino)ethyl]methanesulfonamide
SMILESCCNC(C)NS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-4-6-5(2)7-10(3,8)9/h5-7H,4H2,1-3H3
InChIKeyNJALBNORALBEHT-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.51
Rot. Bonds4

About N-[1-(ethylamino)ethyl]methanesulfonamide

N-[1-(ethylamino)ethyl]methanesulfonamide (PubChem CID 19014039) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-[1-(ethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(ethylamino)ethyl]methanesulfonamide
PubChem CID19014039
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-[1-(ethylamino)ethyl]methanesulfonamide
SMILESCCNC(C)NS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-4-6-5(2)7-10(3,8)9/h5-7H,4H2,1-3H3
InChIKeyNJALBNORALBEHT-UHFFFAOYSA-N
XLogP-0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Urea, 1-ethyl-3-(methylsulfonyl)-2-thio-
CID 5367360
Diethylammonium mesylate
CID 87641845
N-[2-(ethylamino)ethyl]methanesulfonamide
CID 17912947
N-(diethylaminomethyl)methanesulfonamide
CID 20656532
2-(1-Aminoethylamino)ethanesulfonic acid
CID 21666331
N-(ethylaminomethyl)methanesulfonamide
CID 22609740
N-(propylaminomethyl)methanesulfonamide
CID 22609847
N-(ethylaminomethyl)-N-propylmethanesulfonamide
CID 59651230
Sodium 1-(1-aminoethylamino)ethanesulfonate
CID 88108099
1-Ethyl-3-methylsulfonylurea
CID 88568550
N-(aminomethyl)-N-propylmethanesulfonamide
CID 90880765
ethane;N-ethylethanamine;N-methylmethanesulfonamide
CID 91357171

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(ethylamino)ethyl]methanesulfonamide (CID 19014039) is N-[1-(ethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(ethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(ethylamino)ethyl]methanesulfonamide is CCNC(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-(ethylamino)ethyl]methanesulfonamide?
The InChIKey is NJALBNORALBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-4-6-5(2)7-10(3,8)9/h5-7H,4H2,1-3H3.
What are the key properties of N-[1-(ethylamino)ethyl]methanesulfonamide?
N-[1-(ethylamino)ethyl]methanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 19014039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).