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

C10H24N2O2S — CID 62007662

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

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

N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide (PubChem CID 62007662) 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-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide
PubChem CID62007662
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide
SMILESCCCN(C(CC)(CC)CN)S(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-5-8-12(15(4,13)14)10(6-2,7-3)9-11/h5-9,11H2,1-4H3
InChIKeyUWYSKLFQMCYVBM-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-propylmethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide (CID 62007662) is N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide is CCCN(C(CC)(CC)CN)S(C)(=O)=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide?
The InChIKey is UWYSKLFQMCYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-8-12(15(4,13)14)10(6-2,7-3)9-11/h5-9,11H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-propylmethanesulfonamide 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-propylmethanesulfonamide is sourced from PubChem (CID 62007662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).