N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide

C13H24N4O2S — CID 62064009

IUPACN-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H24N4O2S/c1-3-8-17(13(11-14)6-4-5-7-13)20(18,19)12-9-15-16(2)10-12/h9-10H,3-8,11,14H2,1-2H3
InChIKeySBZDVHUJTWQXFB-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.09
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide (PubChem CID 62064009) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide
PubChem CID62064009
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H24N4O2S/c1-3-8-17(13(11-14)6-4-5-7-13)20(18,19)12-9-15-16(2)10-12/h9-10H,3-8,11,14H2,1-2H3
InChIKeySBZDVHUJTWQXFB-UHFFFAOYSA-N
XLogP1.09
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.09
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]-1-methyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide (CID 62064009) is N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide is CCCN(C1(CN)CCCC1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is SBZDVHUJTWQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-8-17(13(11-14)6-4-5-7-13)20(18,19)12-9-15-16(2)10-12/h9-10H,3-8,11,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 62064009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).