N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide

C12H26N2O2S — CID 62008035

IUPACN-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)CCC
InChIInChI=1S/C12H26N2O2S/c1-3-9-14(17(15,16)10-4-2)12(11-13)7-5-6-8-12/h3-11,13H2,1-2H3
InChIKeyJBYHJCNSOZYAKB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide (PubChem CID 62008035) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide
PubChem CID62008035
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)CCC
InChIInChI=1S/C12H26N2O2S/c1-3-9-14(17(15,16)10-4-2)12(11-13)7-5-6-8-12/h3-11,13H2,1-2H3
InChIKeyJBYHJCNSOZYAKB-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide (CID 62008035) is N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide is CCCN(C1(CN)CCCC1)S(=O)(=O)CCC.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide?
The InChIKey is JBYHJCNSOZYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-9-14(17(15,16)10-4-2)12(11-13)7-5-6-8-12/h3-11,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 62008035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).