N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide

C14H26N4O2S — CID 62063832

IUPACN-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4O2S/c1-5-18(14(10-15)8-6-7-9-14)21(19,20)13-11(2)16-17(4)12(13)3/h5-10,15H2,1-4H3
InChIKeyXQRFXUJVOFPMFN-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.32
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62063832) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62063832
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4O2S/c1-5-18(14(10-15)8-6-7-9-14)21(19,20)13-11(2)16-17(4)12(13)3/h5-10,15H2,1-4H3
InChIKeyXQRFXUJVOFPMFN-UHFFFAOYSA-N
XLogP1.32
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62063832) is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide is CCN(C1(CN)CCCC1)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XQRFXUJVOFPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-18(14(10-15)8-6-7-9-14)21(19,20)13-11(2)16-17(4)12(13)3/h5-10,15H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62063832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).