N-(2-aminoethyl)-2-methylpentane-1-sulfonamide

C8H20N2O2S — CID 86780515

IUPACN-(2-aminoethyl)-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCCN
InChIInChI=1S/C8H20N2O2S/c1-3-4-8(2)7-13(11,12)10-6-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyPPLMFFJLDQDVNR-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds7

About N-(2-aminoethyl)-2-methylpentane-1-sulfonamide

N-(2-aminoethyl)-2-methylpentane-1-sulfonamide (PubChem CID 86780515) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylpentane-1-sulfonamide
PubChem CID86780515
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(2-aminoethyl)-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCCN
InChIInChI=1S/C8H20N2O2S/c1-3-4-8(2)7-13(11,12)10-6-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyPPLMFFJLDQDVNR-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

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Related Compounds

N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
2-(2-Methylpentan-2-ylsulfonylsulfanyl)ethylazanium chloride
CID 134928764
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
CID 119985002
N-(3-methylbutyl)ethanesulfonamide
CID 3401117
2-amino-N-(2-methylpropyl)ethanesulfonamide
CID 16782565
N-(2-methylpropyl)propane-2-sulfonamide
CID 18343504
2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
CID 19021588
N-(2-methylpropyl)butane-1-sulfonamide
CID 19681191
N-(2-aminoethyl)butane-1-sulfonamide
CID 20113603
N-hexyl-2-methylpentane-3-sulfonamide
CID 21426679
2-amino-N-(2-methylbutyl)ethanesulfonamide
CID 22946836
N-propylpentane-1-sulfonamide
CID 54163946

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylpentane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-methylpentane-1-sulfonamide (CID 86780515) is N-(2-aminoethyl)-2-methylpentane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylpentane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylpentane-1-sulfonamide is CCCC(C)CS(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methylpentane-1-sulfonamide?
The InChIKey is PPLMFFJLDQDVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-4-8(2)7-13(11,12)10-6-5-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-methylpentane-1-sulfonamide?
N-(2-aminoethyl)-2-methylpentane-1-sulfonamide 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 N-(2-aminoethyl)-2-methylpentane-1-sulfonamide is sourced from PubChem (CID 86780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).