[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C12H23ClN4O2S — CID 120582216

IUPAC[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl
InChIInChI=1S/C12H22N4O2S.ClH/c1-8-5-11(6-13)7-16(8)19(17,18)12-9(2)14-15(4)10(12)3;/h8,11H,5-7,13H2,1-4H3;1H
InChIKeyIFCPIJSKHVRVMD-UHFFFAOYSA-N
MW322.86 g/mol
LogP0.82
Rot. Bonds3

About [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120582216) has the molecular formula C12H23ClN4O2S and a molecular weight of 322.86 g/mol. Its IUPAC name is [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120582216
Molecular FormulaC12H23ClN4O2S
Molecular Weight322.86 g/mol
Exact Mass322.12
IUPAC Name[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl
InChIInChI=1S/C12H22N4O2S.ClH/c1-8-5-11(6-13)7-16(8)19(17,18)12-9(2)14-15(4)10(12)3;/h8,11H,5-7,13H2,1-4H3;1H
InChIKeyIFCPIJSKHVRVMD-UHFFFAOYSA-N
XLogP0.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
[5-methyl-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582154
[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582073
[5-methyl-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582130
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
[1-(4-bromophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582271
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
CID 102788489
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
CID 51051877
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120582216) is [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl.
What is the InChIKey of [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is IFCPIJSKHVRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S.ClH/c1-8-5-11(6-13)7-16(8)19(17,18)12-9(2)14-15(4)10(12)3;/h8,11H,5-7,13H2,1-4H3;1H.
What are the key properties of [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120582216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).