[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C15H19ClN4O2S — CID 120711693

IUPAC[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H18N4O2S.ClH/c16-9-13-7-4-8-19(13)22(20,21)14-10-17-15(18-11-14)12-5-2-1-3-6-12;/h1-3,5-6,10-11,13H,4,7-9,16H2;1H
InChIKeyWMYUZMIKOBANPM-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.68
Rot. Bonds4

About [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120711693) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120711693
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H18N4O2S.ClH/c16-9-13-7-4-8-19(13)22(20,21)14-10-17-15(18-11-14)12-5-2-1-3-6-12;/h1-3,5-6,10-11,13H,4,7-9,16H2;1H
InChIKeyWMYUZMIKOBANPM-UHFFFAOYSA-N
XLogP1.68
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069731
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 120708463
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875357
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 120711693) is [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is WMYUZMIKOBANPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.ClH/c16-9-13-7-4-8-19(13)22(20,21)14-10-17-15(18-11-14)12-5-2-1-3-6-12;/h1-3,5-6,10-11,13H,4,7-9,16H2;1H.
What are the key properties of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120711693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).