N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide

C13H30N2O2S — CID 106286721

IUPACN-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H30N2O2S/c1-6-11(7-2)12(14)10-15-18(16,17)9-8-13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyDCPSGOSCHGTYKY-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.11
Rot. Bonds8

About N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 106286721) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID106286721
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H30N2O2S/c1-6-11(7-2)12(14)10-15-18(16,17)9-8-13(3,4)5/h11-12,15H,6-10,14H2,1-5H3
InChIKeyDCPSGOSCHGTYKY-UHFFFAOYSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106286744
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide (CID 106286721) is N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide is CCC(CC)C(N)CNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is DCPSGOSCHGTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-6-11(7-2)12(14)10-15-18(16,17)9-8-13(3,4)5/h11-12,15H,6-10,14H2,1-5H3.
What are the key properties of N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 106286721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).