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

C12H28N2O2S — CID 62007864

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)CCC
InChIInChI=1S/C12H28N2O2S/c1-5-9-14(17(15,16)10-6-2)12(7-3,8-4)11-13/h5-11,13H2,1-4H3
InChIKeyNFJZYXNEHAMKEE-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.96
Rot. Bonds9

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

N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide (PubChem CID 62007864) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide
PubChem CID62007864
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)CCC
InChIInChI=1S/C12H28N2O2S/c1-5-9-14(17(15,16)10-6-2)12(7-3,8-4)11-13/h5-11,13H2,1-4H3
InChIKeyNFJZYXNEHAMKEE-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.96
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-propylpropane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide (CID 62007864) is N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide is CCCN(C(CC)(CC)CN)S(=O)(=O)CCC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide?
The InChIKey is NFJZYXNEHAMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-9-14(17(15,16)10-6-2)12(7-3,8-4)11-13/h5-11,13H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-propylpropane-1-sulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.96, 9 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-propylpropane-1-sulfonamide is sourced from PubChem (CID 62007864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).