2-(2-methylpentylamino)ethanesulfonamide

C8H20N2O2S — CID 43551734

IUPAC2-(2-methylpentylamino)ethanesulfonamide
SMILESCCCC(C)CNCCS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-3-4-8(2)7-10-5-6-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyALTLUSIOEIJCDB-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds7

About 2-(2-methylpentylamino)ethanesulfonamide

2-(2-methylpentylamino)ethanesulfonamide (PubChem CID 43551734) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-methylpentylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methylpentylamino)ethanesulfonamide
PubChem CID43551734
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2-(2-methylpentylamino)ethanesulfonamide
SMILESCCCC(C)CNCCS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-3-4-8(2)7-10-5-6-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyALTLUSIOEIJCDB-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 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 ≤ 50.30
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'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
CID 65097226
2-(pentylamino)ethanesulfonamide
CID 43551719
N-(3-iodopropyl)-2-methylpentan-1-amine
CID 114503597
2-(2-pyrrolidin-1-ylpropylamino)ethanesulfonamide
CID 114385119
2-(3-methylsulfanylbutylamino)ethanesulfonamide
CID 114385215
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
CID 114384890
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate
CID 115906876
4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385390
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine
CID 115908066
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106723768

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentylamino)ethanesulfonamide?
The IUPAC name of 2-(2-methylpentylamino)ethanesulfonamide (CID 43551734) is 2-(2-methylpentylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-methylpentylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-methylpentylamino)ethanesulfonamide is CCCC(C)CNCCS(N)(=O)=O.
What is the InChIKey of 2-(2-methylpentylamino)ethanesulfonamide?
The InChIKey is ALTLUSIOEIJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-4-8(2)7-10-5-6-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12).
What are the key properties of 2-(2-methylpentylamino)ethanesulfonamide?
2-(2-methylpentylamino)ethanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentylamino)ethanesulfonamide is sourced from PubChem (CID 43551734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).