N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide

C10H24N2O2S — CID 62008453

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)CC
InChIInChI=1S/C10H24N2O2S/c1-5-10(6-2,9-11)12(7-3)15(13,14)8-4/h5-9,11H2,1-4H3
InChIKeyBOBHJRCDPDCCQT-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.18
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide (PubChem CID 62008453) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
PubChem CID62008453
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)CC
InChIInChI=1S/C10H24N2O2S/c1-5-10(6-2,9-11)12(7-3)15(13,14)8-4/h5-9,11H2,1-4H3
InChIKeyBOBHJRCDPDCCQT-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.18
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-ethylethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide (CID 62008453) is N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)CC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide?
The InChIKey is BOBHJRCDPDCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-10(6-2,9-11)12(7-3)15(13,14)8-4/h5-9,11H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.18, 7 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-ethylethanesulfonamide is sourced from PubChem (CID 62008453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).