N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide

C11H26N2O2S — CID 62008255

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)C(CC)(CC)CN
InChIInChI=1S/C11H26N2O2S/c1-5-9-16(14,15)13(8-4)11(6-2,7-3)10-12/h5-10,12H2,1-4H3
InChIKeyYCMZMIGBYVDJHY-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.57
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide (PubChem CID 62008255) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide
PubChem CID62008255
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)C(CC)(CC)CN
InChIInChI=1S/C11H26N2O2S/c1-5-9-16(14,15)13(8-4)11(6-2,7-3)10-12/h5-10,12H2,1-4H3
InChIKeyYCMZMIGBYVDJHY-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide (CID 62008255) is N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)C(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide?
The InChIKey is YCMZMIGBYVDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-9-16(14,15)13(8-4)11(6-2,7-3)10-12/h5-10,12H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 62008255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).