N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

C14H25ClN4O2S — CID 167794277

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC12CCCN1CCC2.Cl
InChIInChI=1S/C14H24N4O2S.ClH/c1-11-13(12(2)17(3)16-11)21(19,20)15-10-14-6-4-8-18(14)9-5-7-14;/h15H,4-10H2,1-3H3;1H
InChIKeyMTCNDONBJLCUNQ-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.37
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 167794277) has the molecular formula C14H25ClN4O2S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID167794277
Molecular FormulaC14H25ClN4O2S
Molecular Weight348.90 g/mol
Exact Mass348.14
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC12CCCN1CCC2.Cl
InChIInChI=1S/C14H24N4O2S.ClH/c1-11-13(12(2)17(3)16-11)21(19,20)15-10-14-6-4-8-18(14)9-5-7-14;/h15H,4-10H2,1-3H3;1H
InChIKeyMTCNDONBJLCUNQ-UHFFFAOYSA-N
XLogP1.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (CID 167794277) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NCC12CCCN1CCC2.Cl.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is MTCNDONBJLCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.ClH/c1-11-13(12(2)17(3)16-11)21(19,20)15-10-14-6-4-8-18(14)9-5-7-14;/h15H,4-10H2,1-3H3;1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 167794277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).