N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide

C12H28N2O3S — CID 106116315

IUPACN-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10,13H2,1-3H3
InChIKeyHFAHXMCIFHRTKW-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.10
Rot. Bonds11

About N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide

N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 106116315) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID106116315
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC NameN-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10,13H2,1-3H3
InChIKeyHFAHXMCIFHRTKW-UHFFFAOYSA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide (CID 106116315) is N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide is CCCC(CCN)CNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is HFAHXMCIFHRTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-4-5-12(6-7-13)10-14-18(15,16)9-8-17-11(2)3/h11-12,14H,4-10,13H2,1-3H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 280.43 g/mol, XLogP of 1.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106116315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).