[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine

C15H18N4O2S — CID 120708463

IUPAC[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C15H18N4O2S/c16-8-12-6-7-19(11-12)22(20,21)14-9-17-15(18-10-14)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11,16H2
InChIKeyOMJBDLLTZHLODE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.11
Rot. Bonds4

About [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 120708463) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID120708463
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C15H18N4O2S/c16-8-12-6-7-19(11-12)22(20,21)14-9-17-15(18-10-14)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11,16H2
InChIKeyOMJBDLLTZHLODE-UHFFFAOYSA-N
XLogP1.11
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120711447
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
CID 126766963
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine
CID 126794901
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069731
(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 120708463) is [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is OMJBDLLTZHLODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-8-12-6-7-19(11-12)22(20,21)14-9-17-15(18-10-14)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11,16H2.
What are the key properties of [1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 318.40 g/mol, XLogP of 1.11, 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-3-yl]methanamine is sourced from PubChem (CID 120708463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).