N-ethyl-2-(2-methylpropylamino)ethanesulfonamide

C8H20N2O2S — CID 115876342

IUPACN-ethyl-2-(2-methylpropylamino)ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-10-13(11,12)6-5-9-7-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyKMMPUGACUQVJTO-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.17
Rot. Bonds7

About N-ethyl-2-(2-methylpropylamino)ethanesulfonamide

N-ethyl-2-(2-methylpropylamino)ethanesulfonamide (PubChem CID 115876342) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropylamino)ethanesulfonamide
PubChem CID115876342
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-ethyl-2-(2-methylpropylamino)ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-10-13(11,12)6-5-9-7-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyKMMPUGACUQVJTO-UHFFFAOYSA-N
XLogP0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106340861
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
CID 115889629
N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
CID 106340115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropylamino)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(2-methylpropylamino)ethanesulfonamide (CID 115876342) is N-ethyl-2-(2-methylpropylamino)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(2-methylpropylamino)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(2-methylpropylamino)ethanesulfonamide is CCNS(=O)(=O)CCNCC(C)C.
What is the InChIKey of N-ethyl-2-(2-methylpropylamino)ethanesulfonamide?
The InChIKey is KMMPUGACUQVJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-10-13(11,12)6-5-9-7-8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylpropylamino)ethanesulfonamide?
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropylamino)ethanesulfonamide is sourced from PubChem (CID 115876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).